SCHEMBL16451234

SCHEMBL16451234

CC(C)c1ccc(N2CCC(N(C)C)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 1/20 0.47
▸ HTR2A P28223 1/20 0.46
▸ HTR2C P28335 1/20 0.46
▸ RORC P51449 3/20 0.45
▸ L3MBTL1 Q9Y468 4/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ MAPT P10636 3/20 0.41
▸ MAPK1 P28482 3/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ GAA P10253 2/20 0.41
▸ ALOX15 P16050 2/20 0.41
▸ ALOX12 P18054 2/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ L3MBTL3 Q96JM7 2/20 0.40
▸ CHIT1 Q13231 1/20 0.40
▸ CHIA Q9BZP6 1/20 0.40
▸ LMNA P02545 2/20 0.40
▸ CDK4 P11802 1/20 0.39
▸ CCNA2 P20248 1/20 0.39

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
SCHEMBL14923971 0.90 RORC (0.47) HRH3HTR2AHTR2CRORC
SCHEMBL1409679 0.82 MAPT (0.53) RORCL3MBTL1ALDH1A1MAPTMAPK1
SCHEMBL24123763 0.82 HRH3 (0.42) HRH3HTR2AHTR2CRORCL3MBTL1
SCHEMBL19658405 0.82 PANK3 (0.47) HRH3HTR2AHTR2CRORCL3MBTL1
SCHEMBL10147276 0.80 USP2 (0.54) HRH3L3MBTL1ALDH1A1MAPTMAPK1
SCHEMBL20004338 0.80 HRH3 (0.50) HRH3L3MBTL1ALDH1A1MAPTMAPK1
SCHEMBL15187981 0.80 HRH3 (0.50) HRH3L3MBTL1ALDH1A1MAPTMAPK1
SCHEMBL8726331 0.80 ADRB1 (0.50) HTR2AHTR2CRORCL3MBTL1ALDH1A1
SCHEMBL21267233 0.80 ALDH1A1 (0.43) HTR2AHTR2CALDH1A1MAPTKDM4E
SCHEMBL20883800 0.79 HTR2A (0.46) HRH3HTR2AHTR2CL3MBTL3HPGD

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4289835-A1 CDK INHIBITOR Shanghai Qilu Pharmaceutical Research and Development Centre Ltd. (CN) 2023-12-13 — — EP disclosed
EP-4169919-A1 PYRAZOLO[3,4-D]PYRIMIDINE-3-KETONE DERIVATIVE AS WEE-1 INHIBITOR Wigen Biomedicine Technology (Shanghai) Co., Ltd. (CN) 2023-04-26 — — EP disclosed
US-20230062022-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS NUVATION BIO INC (US) 2023-03-02 — — US disclosed
US-20220168313-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2022-06-02 — — US disclosed
US-20220162229-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2022-05-26 — — US disclosed
US-11174252-B2 Heterocyclic compounds as kinase inhibitors NUVATION BIO INC. (US) 2021-11-16 — — US disclosed
US-20210332029-A1 ISOINDOLIN-1-ON DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS EFFECTIVE COMPONENT FOR PREVENTING OR TREATING CANCER KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2021-10-28 — — US disclosed
US-10807994-B2 Heterocyclic compounds and uses thereof NUVATION BIO INC. (US) 2020-10-20 — — US disclosed
US-20190248774-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2019-08-15 — — US disclosed
US-20190106436-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2019-04-11 — — US disclosed
US-RE46511-E1 Fused pyrimidine derivatives for inhibition of tyrosine kinase activity HANMI SCIENCE CO., LTD. (KR) 2017-08-15 — — US disclosed
US-RE46511-E1 Fused pyrimidine derivatives for inhibition of tyrosine kinase activity HANMI SCIENCE CO., LTD. (KR) 2017-08-15 — — US disclosed
US-20160229868-A1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY HANMI SCIENCE CO., LTD (KR) 2016-08-11 — — US disclosed
US-9345719-B2 Fused pyrimidine derivatives for inhibition of tyrosine kinase activity HANMI SCIENCE CO., LTD. (KR) 2016-05-24 — — US disclosed
US-20150045324-A1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY HANMI SCIENCE CO., LTD (KR) 2015-02-12 — — 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 (10 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-20210332029-A1 ISOINDOLIN-1-ON DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS EFFECTIVE COMPONENT FOR PREVENTING OR TREATING CANCER EGFR, TP53, BRCA1 HRH3 4541/4885HTR2A 3162/4885HTR2C 2938/4885
US-20190106436-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF WEE1, WEE2, NME1 HRH3 1356/4885HTR2A 4047/4885HTR2C 2918/4885
US-20160229868-A1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY LCK, LTK, FYN HRH3 1824/4885HTR2A 4515/4885HTR2C 4403/4885
US-11174252-B2 Heterocyclic compounds as kinase inhibitors CDK6, CDK4, CDK9 HRH3 2373/4885HTR2A 3722/4885HTR2C 3308/4885
US-20190248774-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS CDK4, CDK6, CDK8 HRH3 1963/4885HTR2A 3609/4885HTR2C 2608/4885
US-20220162229-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF WEE1, WEE2, NME1 HRH3 1356/4885HTR2A 4047/4885HTR2C 2918/4885
US-20220168313-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF WEE1, WEE2, VHL HRH3 1140/4885HTR2A 4191/4885HTR2C 3127/4885
US-20230062022-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS CDK4, CDK6, CDK8 HRH3 1963/4885HTR2A 3609/4885HTR2C 2608/4885
US-20150045324-A1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY LCK, FYN, TYK2 HRH3 1748/4885HTR2A 4606/4885HTR2C 4528/4885
US-10807994-B2 Heterocyclic compounds and uses thereof WEE1, WEE2, CCNE1 HRH3 1716/4885HTR2A 4466/4885HTR2C 3415/4885

“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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