Sugi Predict

Sugi Predict / Compounds / SCHEMBL199632

SCHEMBL199632

SCHEMBL199632

Cn1c(-c2ccccc2)c(C(=O)O)c(=O)n1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 3/20 0.45
▸ CYP1A2 P05177 2/20 0.45
▸ CYP2C9 P11712 2/20 0.45
▸ KDM4E B2RXH2 3/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ HPGD P15428 2/20 0.44
▸ POLB P06746 1/20 0.44
▸ AGTR1 P30556 3/20 0.43
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ RECQL P46063 1/20 0.41
▸ GABRA1 P14867 1/20 0.41
▸ GABRG2 P18507 1/20 0.41
▸ GABRB3 P28472 1/20 0.41
▸ GABRA3 P34903 1/20 0.41
▸ TGFBR1 P36897 1/20 0.40
▸ HSD17B10 Q99714 2/20 0.39
▸ TSHR P16473 1/20 0.39
▸ PDE10A Q9Y233 1/20 0.39
▸ CSF1R P07333 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
SCHEMBL198546 0.74 EIF2AK3 (0.47) CYP2C19CYP1A2CYP2C9KDM4EALDH1A1
SCHEMBL11651846 0.73 CDK8 (0.45) CYP2C19CYP1A2KDM4EALDH1A1HPGD
SCHEMBL2168491 0.70 ALDH1A1 (0.51) CYP2C19CYP1A2KDM4EALDH1A1HPGD
SCHEMBL10463531 0.70 CYP2C19 (0.45) CYP2C19CYP1A2CYP2C9KDM4EALDH1A1
SCHEMBL10460643 0.69 HPGD (0.51) CYP2C19CYP1A2CYP2C9KDM4EALDH1A1
SCHEMBL10463889 0.69 CYP2C19 (0.44) CYP2C19CYP1A2CYP2C9KDM4EALDH1A1
SCHEMBL10463094 0.69 CYP2C19 (0.42) CYP2C19CYP1A2CYP2C9KDM4EALDH1A1
SCHEMBL9333910 0.69 COMT (0.44) CYP2C19CYP1A2CYP2C9KDM4EALDH1A1
SCHEMBL9331349 0.69 CYP2C19 (0.44) CYP2C19CYP1A2CYP2C9KDM4EALDH1A1
SCHEMBL12441053 0.69 CYP1A2 (0.47) CYP2C19CYP1A2CYP2C9KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8957102-B2 Heterocyclic compound as protein kinase inhibitor NEOPHARM CO., LTD. (KR) 2015-02-17 — — US disclosed
US-8957102-B2 Heterocyclic compound as protein kinase inhibitor NEOPHARM CO., LTD. (KR) 2015-02-17 — — US disclosed
US-8957102-B2 Heterocyclic compound as protein kinase inhibitor NEOPHARM CO., LTD. (KR) 2015-02-17 — — US disclosed
US-20120289509-A1 HETEROCYCLIC COMPOUND AS PROTEIN KINASE INHIBITOR NEOPHARM CO., LTD. (KR) 2012-11-15 — — US disclosed
US-20120289509-A1 HETEROCYCLIC COMPOUND AS PROTEIN KINASE INHIBITOR NEOPHARM CO., LTD. (KR) 2012-11-15 — — US disclosed
US-20120289509-A1 HETEROCYCLIC COMPOUND AS PROTEIN KINASE INHIBITOR NEOPHARM CO., LTD. (KR) 2012-11-15 — — US disclosed
EP-1881976-B1 SUBSTITUTED AMIDE DERIVATIVES AS PROTEIN KINASE INHIBITORS AMGEN INC (US) 2012-10-17 — — EP disclosed
US-20120070413-A1 METHOD OF TREATING CANCER WITH SUBSTITUTED AMIDE DERIVATIVES KIM TAE-SEONG (US) 2012-03-22 — — US disclosed
US-8088794-B2 Substituted amide derivatives and methods of use AMGEN INC. (US) 2012-01-03 — — US disclosed
US-20110183983-A1 HETEROCYCLIC COMPOUND AS PROTEIN KINASE INHIBITOR NEOPHARM CO., LTD. (KR) 2011-07-28 — — US disclosed
US-20110183983-A1 HETEROCYCLIC COMPOUND AS PROTEIN KINASE INHIBITOR NEOPHARM CO., LTD. (KR) 2011-07-28 — — US disclosed
US-20110183983-A1 HETEROCYCLIC COMPOUND AS PROTEIN KINASE INHIBITOR NEOPHARM CO., LTD. (KR) 2011-07-28 — — US disclosed
EP-2336123-A2 HETEROCYCLIC COMPOUND AS PROTEIN KINASE INHIBITOR Neopharm Co., Ltd. (KR) 2011-06-22 — — EP disclosed
US-20110118252-A1 SUBSTITUTED AMIDE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2011-05-19 — — US disclosed
US-7858623-B2 Substituted amide derivatives and methods of use AMGEN INC. (US) 2010-12-28 — — US disclosed
WO-2010044543-A2 HETEROCYCLIC COMPOUND AS PROTEIN KINASE INHIBITOR 주식회사 네오팜 (KR) 2010-04-22 — — WO disclosed
US-20080312232-A1 Substituted amide derivatives and methods of use AMGEN INC. (US) 2008-12-18 — — US disclosed
CN-101248059-A Substituted amide derivatives as protein kinase inhibitors AMGEN INC (US) 2008-08-20 — — CN disclosed
EP-1881976-A1 SUBSTITUTED AMIDE DERIVATIVES AS PROTEIN KINASE INHIBITORS Amgen Inc., (US) 2008-01-30 — — EP disclosed
WO-2006116713-A1 SUBSTITUTED AMIDE DERIVATIVES AS PROTEIN KINASE INHIBITORS AMGEN INC. (US) 2006-11-02 — — 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 (5 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-20110183983-A1 HETEROCYCLIC COMPOUND AS PROTEIN KINASE INHIBITOR MET, HGFAC, DMPK CYP2C19 2709/4885CYP1A2 4100/4885CYP2C9 3248/4885
US-20080312232-A1 Substituted amide derivatives and methods of use HGF, HGFAC, MET CYP2C19 673/4885CYP1A2 432/4885CYP2C9 700/4885
US-20120289509-A1 HETEROCYCLIC COMPOUND AS PROTEIN KINASE INHIBITOR MET, HGFAC, DMPK CYP2C19 2709/4885CYP1A2 4100/4885CYP2C9 3248/4885
US-20120070413-A1 METHOD OF TREATING CANCER WITH SUBSTITUTED AMIDE DERIVATIVES HGF, HGFAC, MET CYP2C19 588/4885CYP1A2 361/4885CYP2C9 631/4885
US-20110118252-A1 SUBSTITUTED AMIDE DERIVATIVES AND METHODS OF USE HGF, HGFAC, MET CYP2C19 673/4885CYP1A2 432/4885CYP2C9 700/4885

“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.