SCHEMBL629055

SCHEMBL629055

C=Cc1cccc2c1CNC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD44 P16070 2/20 0.39
PNMT P11086 2/20 0.35
ALDH1A1 P00352 1/20 0.34
OXTR P30559 1/20 0.34
MAOB P27338 1/20 0.33
PRCP P42785 1/20 0.33
DRD2 P14416 1/20 0.31
HTR2C P28335 1/20 0.30
IKBKB O14920 1/20 0.30
RAF1 P04049 1/20 0.30
RPS6KB1 P23443 1/20 0.30
MAPK1 P28482 1/20 0.30
AKT1 P31749 1/20 0.30
AKT2 P31751 1/20 0.30
KDR P35968 1/20 0.30
PRKAG1 P54619 1/20 0.30
MAP2K1 Q02750 1/20 0.30
PRKAA1 Q13131 1/20 0.30
MAPK14 Q16539 1/20 0.30
DYRK2 Q92630 1/20 0.30

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
SCHEMBL7199508 0.80 LMNA (0.41) CD44PNMTALDH1A1OXTRMAOB
Hydrochloric Acid SCHEMBL29951826 0.78 LMNA (0.39) CD44PNMTALDH1A1OXTRMAOB
SCHEMBL28779140 0.78 LMNA (0.39) CD44PNMTALDH1A1OXTRMAOB
Hydrochloric Acid SCHEMBL29168703 0.78 LMNA (0.39) CD44PNMTALDH1A1OXTRMAOB
SCHEMBL24329180 0.76 DRD2 (0.34) CD44PNMTALDH1A1OXTRMAOB
SCHEMBL4595232 0.72 ALDH1A1 (0.38) PNMTALDH1A1DRD2
SCHEMBL16759634 0.72 CD44 (0.42) CD44PNMTOXTRMAOBPRCP
SCHEMBL9938989 0.72 GABRA1 (0.42) CD44PNMTALDH1A1OXTRMAPK1
Hydrochloric Acid SCHEMBL15311863 0.71 GABRA1 (0.41) CD44PNMTMAPK1
SCHEMBL586149 0.69 ALDH1A1 (0.35) ALDH1A1DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12552758-B2 Inhibitors of MLH1 and/or PMS2 for cancer treatment Neophore Limited (GB) 2026-02-17 US disclosed
CN-116987021-A Novel isoindoline derivative with anti-tumor effect as well as preparation method and application thereof 北京中医药大学 2023-11-03 CN disclosed
US-20230183197-A1 INHIBITORS OF MLH1 AND/OR PMS2 FOR CANCER TREATMENT Neophore Limited (GB) 2023-06-15 US disclosed
US-20230065368-A1 INHIBITING UBIQUITIN SPECIFIC PEPTIDASE 9X FORMA THERAPEUTICS, INC. 2023-03-02 US disclosed
EP-2268285-B1 THERAPEUTIC COMPOUNDS MERCK SHARP & DOHME (US) 2018-06-27 EP disclosed
US-9321809-B2 Macrocyclic compounds for suppressing replication of hepatitis C virus GINKGO PHARAMA CO., LTD. (CN) 2016-04-26 US disclosed
US-9321809-B2 Macrocyclic compounds for suppressing replication of hepatitis C virus GINKGO PHARAMA CO., LTD. (CN) 2016-04-26 US disclosed
EP-2027144-B1 MACROCYCLIC COMPOUNDS AS ANTIVIRAL AGENTS MSD ITALIA SRL (IT) 2015-04-29 EP disclosed
US-20150031603-A1 MACROCYCLIC COMPOUNDS FOR SUPPRESSING REPLICATION OF HEPATITIS C VIRUS GINKGO PHARMA CO., LTD. (CN) 2015-01-29 US disclosed
US-20150031603-A1 MACROCYCLIC COMPOUNDS FOR SUPPRESSING REPLICATION OF HEPATITIS C VIRUS GINKGO PHARMA CO., LTD. (CN) 2015-01-29 US disclosed
WO-2007148135-A1 MACROCYCLIC COMPOUNDS AS ANTIVIRAL AGENTS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2007-12-27 WO disclosed
WO-2007148135-A1 MACROCYCLIC COMPOUNDS AS ANTIVIRAL AGENTS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2007-12-27 WO disclosed
WO-2007131966-A1 MACROCYCLIC COMPOUNDS AS ANTIVIRAL AGENTS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2007-11-22 WO disclosed
WO-2007015787-A1 HCV NS3 PROTEASE INHIBITORS MERCK & CO., INC. (US) 2007-02-08 WO disclosed
WO-2007015787-A1 HCV NS3 PROTEASE INHIBITORS MERCK & CO., INC. (US) 2007-02-08 WO disclosed
WO-2007015855-A1 HCV NS3 PROTEASE INHIBITORS MERCK & CO., INC. (US) 2007-02-08 WO disclosed
WO-2007015855-A1 HCV NS3 PROTEASE INHIBITORS MERCK & CO., INC. (US) 2007-02-08 WO disclosed
US-20070027071-A1 HCV NS3 protease inhibitors MERCK SHARP & DOHME LLC 2007-02-01 US disclosed
US-20070027071-A1 HCV NS3 protease inhibitors MERCK SHARP & DOHME LLC 2007-02-01 US disclosed
US-20070027071-A1 HCV NS3 protease inhibitors MERCK SHARP & DOHME LLC 2007-02-01 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 (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-20070027071-A1 HCV NS3 protease inhibitors HAVCR2, GTF3C3, CTSC CD44 4623/4885PNMT 3497/4885ALDH1A1 1199/4885
US-12552758-B2 Inhibitors of MLH1 and/or PMS2 for cancer treatment MSH2, PMS2, MSH6 CD44 4293/4885PNMT 2341/4885ALDH1A1 1103/4885
US-20230065368-A1 INHIBITING UBIQUITIN SPECIFIC PEPTIDASE 9X USP9X, USP19, USP39 CD44 3553/4885PNMT 2759/4885ALDH1A1 1794/4885
US-20150031603-A1 MACROCYCLIC COMPOUNDS FOR SUPPRESSING REPLICATION OF HEPATITIS C VIRUS HCCS, HAVCR2, EIF2AK2 CD44 4608/4885PNMT 2168/4885ALDH1A1 1649/4885
US-20230183197-A1 INHIBITORS OF MLH1 AND/OR PMS2 FOR CANCER TREATMENT MSH2, PMS2, MSH6 CD44 3212/4885PNMT 1030/4885ALDH1A1 1817/4885

“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.