SCHEMBL358614

SCHEMBL358614

Clc1c[c]c(-c2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.48
TSHR P16473 1/20 0.38
KDM4E B2RXH2 4/20 0.36
LMNA P02545 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
GAA P10253 1/20 0.36
ALDH1A1 P00352 5/20 0.35
CYP2A6 P11509 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
POLB P06746 1/20 0.33
HTT P42858 1/20 0.33
NPC1 O15118 4/20 0.32
RAB9A P51151 3/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
MAPT P10636 2/20 0.32
CYP19A1 P11511 1/20 0.32
SCN2A Q99250 1/20 0.32
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32

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
SCHEMBL28526146 0.78 ALDH1A1 (0.34) CYP1A2GAAALDH1A1CYP2A6NPC1
SCHEMBL358844 0.78 ESR1 (0.40) KDM4ELMNAALDH1A1SMN1; SMN2NPC1
SCHEMBL360195 0.77 HSD17B1 (0.45) CYP1A2TSHRLMNAALDH1A1CYP3A4
SCHEMBL2958548 0.76 ALDH1A1 (0.45) CYP1A2TSHRLMNAGAAALDH1A1
SCHEMBL2448169 0.76 ALDH1A1 (0.45) CYP1A2TSHRLMNAGAAALDH1A1
SCHEMBL5047733 0.75 ALDH1A1 (0.47) CYP1A2LMNAALDH1A1CYP2A6HTT
SCHEMBL7123909 0.74 HPGD (0.42) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL359663 0.74 HRH3 (0.46)
SCHEMBL358041 0.74 NOTUM (0.34) TSHR
SCHEMBL2922472 0.73 ALDH1A1 (0.35) CYP1A2ALDH1A1CYP2A6NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180298026-A1 Pyrazolo[1,5a]Pyrimidine Derivatives as IRAK4 Modulators HOFFMANN-LA ROCHE INC. 2018-10-18 US claimed
US-10023589-B2 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators HOFFMANN-LA ROCHE INC. (US) 2018-07-17 US claimed
US-20160207936-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS HOFFMANN-LA ROCHE INC. 2016-07-21 US claimed
US-20140303149-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS HOFFMANN-LA ROCHE INC. (US) 2014-10-09 US claimed
EP-2593457-A1 PYRAZOLO [1, 5A]PYRIMIDINE AND THIENO [3, 2B]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2013-05-22 EP claimed
US-20120015962-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS ARORA NIDHI (US) 2012-01-19 US claimed
WO-2012007375-A1 PYRAZOLO [1, 5A] PYRIMIDINE AND THIENO [3, 2B] PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 WO claimed
CN-117600478-A Preparation method of silver nano particles, product thereof and regulation and control method 温州大学 2024-02-27 CN disclosed
CN-116891466-A Pyrazole-containing dithiazole carboxamide derivative and preparation method and application thereof 南开大学 2023-10-17 CN disclosed
CN-116507623-A Heterocyclic compound, organic light-emitting element comprising same, method for producing same, and composition for organic layer LT素材株式会社 2023-07-28 CN disclosed
CN-107353233-B Method for catalytic synthesis of asymmetric azoxybenzene compound 温州大学 2023-02-24 CN disclosed
CN-114401978-A Method for producing peptide compound 日产化学株式会社 2022-04-26 CN disclosed
CN-113614061-A Method for producing peptide compound 日产化学株式会社 2021-11-05 CN disclosed
CN-104926628-A Method for synthesizing benzil derivative UNIV ZHEJIANG TECHNOLOGY 2015-09-23 CN disclosed
US-20140303149-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS HOFFMANN-LA ROCHE INC. (US) 2014-10-09 US disclosed
US-20140088029-A1 NOVEL PYRAZOLE DERIVATIVE PHARMA EIGHT CO., LTD. (JP) 2014-03-27 US disclosed
EP-2698368-A1 NOVEL PYRAZOLE DERIVATIVE Pharma Eight Co. Ltd (JP) 2014-02-19 EP disclosed
EP-2593457-A1 PYRAZOLO [1, 5A]PYRIMIDINE AND THIENO [3, 2B]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2013-05-22 EP disclosed
US-20120015962-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS ARORA NIDHI (US) 2012-01-19 US disclosed
WO-2012007375-A1 PYRAZOLO [1, 5A] PYRIMIDINE AND THIENO [3, 2B] PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 WO 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 (6 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-20160207936-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK4, IRAK1, IRAK2 CYP1A2 3515/4885TSHR 2294/4885KDM4E 261/4885
US-20140303149-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK4, IRAK1, IRAK2 CYP1A2 3515/4885TSHR 2294/4885KDM4E 261/4885
US-10023589-B2 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators IRAK4, IRAK1, IRAK2 CYP1A2 3515/4885TSHR 2294/4885KDM4E 261/4885
US-20140088029-A1 NOVEL PYRAZOLE DERIVATIVE PSEN2, MAPT, PSEN1 CYP1A2 1046/4885TSHR 4237/4885KDM4E 3193/4885
US-20120015962-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK4, IRAK1, IRAK2 CYP1A2 3515/4885TSHR 2294/4885KDM4E 261/4885
US-20180298026-A1 Pyrazolo[1,5a]Pyrimidine Derivatives as IRAK4 Modulators IRAK4, IRAK1, IRAK2 CYP1A2 3515/4885TSHR 2294/4885KDM4E 261/4885

“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.