Sugi Predict

Sugi Predict / Compounds / SCHEMBL197736

SCHEMBL197736

SCHEMBL197736

Cc1c(C(=O)O)c(=O)n(-c2ccccc2)n1C

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.65
▸ ALOX15 P16050 2/20 0.65
▸ DPP4 P27487 1/20 0.62
▸ MAOA P21397 1/20 0.60
▸ MAOB P27338 1/20 0.60
▸ BCHE P06276 1/20 0.60
▸ PTGS2 P35354 1/20 0.60
▸ LMNA P02545 3/20 0.58
▸ ADORA3 P0DMS8 1/20 0.58
▸ KMT2A Q03164 4/20 0.58
▸ MEN1 O00255 3/20 0.58
▸ MAPT P10636 2/20 0.58
▸ SMN1; SMN2 Q16637 1/20 0.58
▸ TSHR P16473 3/20 0.57
▸ KDM4E B2RXH2 2/20 0.57
▸ CYP1A2 P05177 2/20 0.57
▸ THRB P10828 1/20 0.57
▸ NAPRT Q6XQN6 1/20 0.57
▸ TP53 P04637 1/20 0.55
▸ HSD17B10 Q99714 1/20 0.55

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
SCHEMBL2109064 0.88 ALDH1A1 (0.63) ALDH1A1ALOX15DPP4MAOAMAOB
SCHEMBL22418510 0.87 ALDH1A1 (0.61) ALDH1A1ALOX15DPP4MAOAMAOB
SCHEMBL2047520 0.87 ALDH1A1 (0.61) ALDH1A1ALOX15DPP4MAOAMAOB
SCHEMBL1719195 0.87 KDM4E (0.62) ALDH1A1ALOX15DPP4MAOAMAOB
SCHEMBL367875 0.85 FPR2 (0.52) ALDH1A1ALOX15DPP4MAOAMAOB
SCHEMBL12488827 0.85 PKM (0.55) ALDH1A1ALOX15DPP4MAOAMAOB
SCHEMBL26054746 0.84 ALDH1A1 (0.58) ALDH1A1ALOX15DPP4MAOAMAOB
SCHEMBL198493 0.84 ALDH1A1 (0.58) ALDH1A1ALOX15DPP4MAOAMAOB
SCHEMBL1965028 0.84 ALDH1A1 (0.55) ALDH1A1ALOX15DPP4MAOAMAOB
SCHEMBL3874217 0.83 DPP4 (0.66) ALDH1A1ALOX15DPP4MAOAMAOB

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 112 patents — showing the first 20. 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 claimed
US-20120289509-A1 HETEROCYCLIC COMPOUND AS PROTEIN KINASE INHIBITOR NEOPHARM CO., LTD. (KR) 2012-11-15 — — US claimed
US-6946462-B2 N-monoacylated derivatives of o-phenylenediamines, their analogs and their use as pharmaceutical agents HOFFMANN-LA ROCHE INC. (US) 2005-09-20 — — US claimed
US-6869953-B2 N-monoacylated derivatives of o-phenylenediamines, their analogs and their use as pharmaceutical agents HOFFMAN-LA ROCHE INC. (US) 2005-03-22 — — US claimed
US-20040192744-A1 N-monoacylated derivatives of o-phenylenediamines, their analogs and their use as pharmaceutical agents HAAG RAINER (DE) 2004-09-30 — — US claimed
US-20030139404-A1 N-monoacylated derivatives of o-phenylenediamines, their analogs and their use as pharmaceutical agents HOFFMANN-LA ROCHE INC. 2003-07-24 — — US claimed
WO-2024251182-A1 QUINOXALINE COMPOUND AND USE THEREOF 广州六顺生物科技有限公司 2024-12-12 — — WO disclosed
CN-119101036-A Quinoxaline compound and application thereof 广州六顺生物科技有限公司 2024-12-10 — — CN disclosed
US-20240293386-A1 NOVEL COMPOUND AS PROTEIN KINASE INHIBITOR LG CHEM, LTD. (KR) 2024-09-05 — — US disclosed
US-20240150325-A1 NOVEL COMPOUND AS PROTEIN KINASE INHIBITORS LG CHEM, LTD. (KR) 2024-05-09 — — US disclosed
EP-4332106-A1 NOVEL COMPOUND AS PROTEIN KINASE INHIBITOR LG Chem, Ltd. (KR) 2024-03-06 — — EP disclosed
CN-117355533-A Novel compounds as protein kinase inhibitors 株式会社LG化学 2024-01-05 — — CN disclosed
EP-4273140-A1 NOVEL COMPOUND AS PROTEIN KINASE INHIBITOR Lg Chem, Ltd. (KR) 2023-11-08 — — EP disclosed
EP-1881976-A1 SUBSTITUTED AMIDE DERIVATIVES AS PROTEIN KINASE INHIBITORS Amgen Inc., (US) 2008-01-30 — — EP disclosed
EP-1713778-B1 BENZAZEPINE DERIVATIVES AS HISTAMINE H3 ANTAGONISTS GLAXO GROUP LTD (GB) 2008-01-16 — — EP disclosed
EP-1363925-B1 MACROLIDE ANTIBIOTICS GLAXO GROUP LTD (GB) 2006-11-15 — — EP disclosed
WO-2006116713-A1 SUBSTITUTED AMIDE DERIVATIVES AS PROTEIN KINASE INHIBITORS AMGEN INC. (US) 2006-11-02 — — WO disclosed
CN-1492874-A Macrolide antibiotics — 2004-04-28 — — CN disclosed
US-4537886-A β-lactam antibacterial agents and compositions containing them BEECHAM GROUP P.L.C. (GB) 1985-08-27 — — US disclosed
EP-0090656-A1 Penicillins, a process for the preparation and compositions containing them BEECHAM GROUP PLC (GB) 1983-10-05 — — EP 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-20240150325-A1 NOVEL COMPOUND AS PROTEIN KINASE INHIBITORS MAP3K20, SBK3, MAPKAPK2 ALDH1A1 4608/4885ALOX15 4620/4885DPP4 2363/4885
US-20040192744-A1 N-monoacylated derivatives of o-phenylenediamines, their analogs and their use as pharmaceutical agents NAT1, CYP1A1, UGT1A1 ALDH1A1 198/4885ALOX15 3617/4885DPP4 1044/4885
US-20120289509-A1 HETEROCYCLIC COMPOUND AS PROTEIN KINASE INHIBITOR MET, HGFAC, DMPK ALDH1A1 3427/4885ALOX15 4325/4885DPP4 2497/4885
US-20030139404-A1 N-monoacylated derivatives of o-phenylenediamines, their analogs and their use as pharmaceutical agents NAT1, CYP1A1, UGT1A1 ALDH1A1 198/4885ALOX15 3617/4885DPP4 1044/4885
US-20240293386-A1 NOVEL COMPOUND AS PROTEIN KINASE INHIBITOR MAP3K20, SBK3, MAPKAPK2 ALDH1A1 4634/4885ALOX15 4659/4885DPP4 2529/4885

“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.