SCHEMBL12017183

SCHEMBL12017183

CC(C)(C)c1cccc(N2CCCC2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.49
▸ HTR3E A5X5Y0 1/20 0.49
▸ HTR3B O95264 1/20 0.49
▸ HTR1D P28221 1/20 0.49
▸ HTR2C P28335 1/20 0.49
▸ HTR3A P46098 1/20 0.49
▸ HTR3D Q70Z44 1/20 0.49
▸ HTR3C Q8WXA8 1/20 0.49
▸ SIGMAR1 Q99720 1/20 0.49
▸ MAPT P10636 1/20 0.47
▸ THRB P10828 1/20 0.47
▸ PRMT6 Q96LA8 1/20 0.47
▸ HPGD P15428 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ AGXT P21549 1/20 0.45
▸ APP P05067 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18210659 0.98 PRMT6 (0.50) ALDH1A1HTR3EHTR3BHTR1DHTR2C
SCHEMBL271333 0.98 PRMT6 (0.50) ALDH1A1HTR3EHTR3BHTR1DHTR2C
SCHEMBL25450903 0.88 PRMT6 (0.49) ALDH1A1HTR3EHTR3BHTR1DHTR2C
SCHEMBL11947326 0.85 ADRA2C (0.61) ALDH1A1HTR3EHTR3BHTR1DHTR2C
SCHEMBL4631841 0.85 ALDH1A1 (0.50) ALDH1A1HTR3EHTR3BHTR1DHTR2C
SCHEMBL4402783 0.84 LMNA (0.53) ALDH1A1HTR3EHTR3BHTR1DHTR2C
SCHEMBL3722272 0.84 ALDH1A1 (0.45) ALDH1A1HTR3EHTR3BHTR1DHTR2C
SCHEMBL14349176 0.84 ALDH1A1 (0.45) ALDH1A1HTR3EHTR3BHTR1DHTR2C
SCHEMBL270532 0.84 HTR3E (0.71) ALDH1A1HTR3EHTR3BHTR1DHTR2C
SCHEMBL117340 0.84 ALDH1A1 (0.45) ALDH1A1HTR3EHTR3BHTR1DHTR2C

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230043159-A1 MATRIPTASE 2 INHIBITORS AND USES THEREOF DISC MEDICINE, INC. 2023-02-09 — — US disclosed
US-20210179600-A1 OXAZOLE AND THIAZOLE DERIVATIVES AS INHIBITORS OF ASK1 Hepagene Therapeutics (HK) Limited (HK) 2021-06-17 — — US disclosed
US-20210155604-A1 QUINAZOLINE COMPOUND SERVING AS EGFR TRIPLE MUTATION INHIBITOR AND APPLICATIONS THEREOF EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2021-05-27 — — US disclosed
US-20210032207-A1 QUINOLONE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2021-02-04 — — US disclosed
US-10647683-B2 Hsp70 modulators and methods for making and using the same MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2020-05-12 — — US disclosed
US-20200055823-A1 QUINOLONE COMPOUND OTSUKA PHARMA CO LTD (JP) 2020-02-20 — — US disclosed
US-20190241526-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME MEMORIAL SLOAN KETTERING CANCER CENTER 2019-08-08 — — US disclosed
US-20190077762-A1 QUINOLONE COMPOUND OTSUKA PHARMA CO LTD (JP) 2019-03-14 — — US disclosed
US-20180170883-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME MEMORIAL SLOAN KETTERING CANCER CENTER 2018-06-21 — — US disclosed
US-20180170883-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME MEMORIAL SLOAN KETTERING CANCER CENTER 2018-06-21 — — US disclosed
US-20140296220-A1 PYRIDAZINO[4,5-D]PYRIMIDIN-5(6H)-ONE INHIBITORS OF KINASES ABBVIE INC (US) 2014-10-02 — — US disclosed
US-8796289-B2 Pyridazino[4,5-D]pyrimidin-5(6H)-one inhibitors of kinases ABBVIE INC. (US) 2014-08-05 — — US disclosed
US-20140179675-A1 QUINOLONE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-06-26 — — US disclosed
US-20140179675-A1 QUINOLONE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-06-26 — — US disclosed
US-8710065-B2 Tricyclic inhibitors of kinases ABBVIE INC. (US) 2014-04-29 — — US disclosed
US-20130102590-A1 PYRIDOPYRIMIDINONE INHIBITORS OF KINASES ABBVIE INC (US) 2013-04-25 — — US disclosed
US-20130023523-A1 PYRIDAZINO[4,5-D]PYRIMIDIN-5(6H)-ONE INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2013-01-24 — — US disclosed
US-20120238545-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO SA (CH) 2012-09-20 — — US disclosed
US-20120220572-A1 TRICYCLIC INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2012-08-30 — — US disclosed
US-20110224208-A1 NOVEL INHIBITORS OF FLAVIVIRUS REPLICATION KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2011-09-15 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (16 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130102590-A1 PYRIDOPYRIMIDINONE INHIBITORS OF KINASES WEE1, WEE2, CDK1 ALDH1A1 1211/4885HTR3E 1595/4885HTR3B 2854/4885
US-20190241526-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME HSPA2, HSP90AA1, HSP90AB1 ALDH1A1 511/4885HTR3E 1132/4885HTR3B 1457/4885
US-20140296220-A1 PYRIDAZINO[4,5-D]PYRIMIDIN-5(6H)-ONE INHIBITORS OF KINASES WEE1, WEE2, CDK1 ALDH1A1 1308/4885HTR3E 867/4885HTR3B 2489/4885
US-20120238545-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES PI4KB, MTOR, PI4KA ALDH1A1 3185/4885HTR3E 3024/4885HTR3B 1829/4885
US-20200055823-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 ALDH1A1 1445/4885HTR3E 2110/4885HTR3B 1913/4885
US-20180170883-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME HSPA2, HSP90AA1, HSP90AB1 ALDH1A1 511/4885HTR3E 1132/4885HTR3B 1457/4885
US-20120220572-A1 TRICYCLIC INHIBITORS OF KINASES WEE1, WEE2, CDK1 ALDH1A1 2764/4885HTR3E 1354/4885HTR3B 3406/4885
US-20110224208-A1 NOVEL INHIBITORS OF FLAVIVIRUS REPLICATION MAVS, IRF3, EIF2AK2 ALDH1A1 2613/4885HTR3E 3331/4885HTR3B 3230/4885
US-20210155604-A1 QUINAZOLINE COMPOUND SERVING AS EGFR TRIPLE MUTATION INHIBITOR AND APPLICATIONS THEREOF EGFR, ERBB2, ERBB4 ALDH1A1 2980/4885HTR3E 921/4885HTR3B 1392/4885
US-20190077762-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 ALDH1A1 1466/4885HTR3E 2166/4885HTR3B 1900/4885
US-20140179675-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 ALDH1A1 1445/4885HTR3E 2110/4885HTR3B 1913/4885
US-10647683-B2 Hsp70 modulators and methods for making and using the same HSPA2, HSP90AA1, HSP90AB1 ALDH1A1 511/4885HTR3E 1132/4885HTR3B 1457/4885
US-20210179600-A1 OXAZOLE AND THIAZOLE DERIVATIVES AS INHIBITORS OF ASK1 IRAK1, IRAK2, IRAK3 ALDH1A1 1701/4885HTR3E 4584/4885HTR3B 4331/4885
US-20230043159-A1 MATRIPTASE 2 INHIBITORS AND USES THEREOF MMP7, MATR3, SPINT2 ALDH1A1 3877/4885HTR3E 288/4885HTR3B 409/4885
US-20210032207-A1 QUINOLONE COMPOUND HAX1, NQO2, CXCR1 ALDH1A1 1573/4885HTR3E 2127/4885HTR3B 2042/4885
US-20130023523-A1 PYRIDAZINO[4,5-D]PYRIMIDIN-5(6H)-ONE INHIBITORS OF KINASES WEE1, WEE2, CDK1 ALDH1A1 1308/4885HTR3E 867/4885HTR3B 2489/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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