SCHEMBL216822

SCHEMBL216822

N=c1oc2ccccc2cc1C(=O)Nc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 8/20 1.00
▸ RAB9A P51151 8/20 1.00
▸ CASP3 P42574 1/20 1.00
▸ SENP7 Q9BQF6 1/20 1.00
▸ SENP6 Q9GZR1 1/20 1.00
▸ KMT2A Q03164 4/20 0.80
▸ MEN1 O00255 2/20 0.80
▸ ATM Q13315 1/20 0.80
▸ CA12 O43570 1/20 0.73
▸ CA1 P00915 1/20 0.73
▸ CA2 P00918 1/20 0.73
▸ CA9 Q16790 1/20 0.73
▸ MAOB P27338 5/20 0.72
▸ MAOA P21397 4/20 0.72
▸ F12 P00748 1/20 0.72
▸ AKR1C3 P42330 1/20 0.69
▸ TP53 P04637 2/20 0.69
▸ SMN1; SMN2 Q16637 2/20 0.69
▸ KDM4E B2RXH2 2/20 0.69
▸ MAPT P10636 2/20 0.69

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
SCHEMBL8837282 0.90 NPC1 (0.82) NPC1RAB9ACASP3SENP7SENP6
SCHEMBL831792 0.84 MAOB (1.00) NPC1RAB9AMAOBMAOAF12
SCHEMBL11462954 0.79 MAOB (0.91) NPC1RAB9ACA12CA1CA2
SCHEMBL5866982 0.78 NPC1 (1.00) NPC1RAB9AKMT2AMEN1ATM
SCHEMBL8837333 0.76 LCK (0.67) NPC1RAB9ACASP3SENP7SENP6
SCHEMBL4412265 0.76 NPC1 (0.61) NPC1RAB9ACASP3SENP7SENP6
SCHEMBL4412268 0.76 NPC1 (0.60) NPC1RAB9ACASP3SENP7SENP6
SCHEMBL4389144 0.75 MAOA (1.00) NPC1RAB9ACA12CA1CA2
SCHEMBL4972712 0.74 MAOB (1.00) CA12CA1CA2MAOBMAOA
SCHEMBL14476486 0.73 MAPK1 (1.00) NPC1CA12CA1CA2MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088768-B2 Protein kinase and phosphatase inhibitors THE RESEARCH FOUNDATION OF THE STATE UNIVERSITY OF NEW YORK (US) 2012-01-03 — — US disclosed
US-20110136807-A1 Bicyclic compositions and methods for modulating a kinase cascade KINEX PHARMACEUTICALS, LLC (US) 2011-06-09 — — US disclosed
US-7901894-B2 Kinase inhibitors THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2011-03-08 — — US disclosed
US-20110028474-A1 PROTEIN KINASE AND PHOSPHATASE INHIBITORS THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2011-02-03 — — US disclosed
EP-1147214-B1 A NOVEL METHOD FOR DESIGNING PROTEIN KINASE INHIBITORS UNIV NEW YORK STATE RES FOUND (US) 2011-01-05 — — EP disclosed
US-7838542-B2 Bicyclic compositions and methods for modulating a kinase cascade KINEX PHARMACEUTICALS, LLC (US) 2010-11-23 — — US disclosed
US-7772216-B2 Protein kinase and phosphatase inhibitors and methods for designing them THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2010-08-10 — — US disclosed
EP-2038254-A2 BICYCLIC COMPOSITIONS AND METHODS FOR MODULATING A KINASE CASCADE Kinex Pharmaceuticals, LLC (US) 2009-03-25 — — EP disclosed
US-7427608-B2 Protection against and treatment of hearing loss THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2008-09-23 — — US disclosed
WO-2008002674-A2 BICYCLIC COMPOSITIONS AND METHODS FOR MODULATING A KINASE CASCADE KINEX PHARMACEUTICALS, LLC (US) 2008-01-03 — — WO disclosed
US-7005445-B2 Protein kinase and phosphatase inhibitors and methods for designing them THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2006-02-28 — — US disclosed
US-20060030544-A1 Protein kinase and phosphatase inhibitors and methods for designing them RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK, THE 2006-02-09 — — US disclosed
EP-1444204-A1 PROTEIN KINASE AND PHOSPHATASE INHIBITORS, METHODS FOR DESIGNING THEM, AND METHODS OF USING THEM THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2004-08-11 — — EP disclosed
US-20040019015-A1 Protection against and treatment of hearing loss HEALTH RESEARCH, INC. (ROSWELL PARK DIVISION) 2004-01-29 — — US disclosed
US-20030166615-A1 Protein kinase and phosphatase inhibitors and methods for designing them RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK, THE 2003-09-04 — — US disclosed
WO-2003035621-A1 PROTEIN KINASE AND PHOSPHATASE INHIBITORS, METHODS FOR DESIGNING THEM, AND METHODS OF USING THEM THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2003-05-01 — — WO disclosed
EP-1147214-A1 A NOVEL METHOD FOR DESIGNING PROTEIN KINASE INHIBITORS THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2001-10-24 — — EP disclosed
WO-2000042213-A1 A NOVEL METHOD FOR DESIGNING PROTEIN KINASE INHIBITORS THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2000-07-20 — — WO disclosed
US-5648378-A ANTICARCINOGENIC AGENTS FOR MAMMAL CELLS RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1997-07-15 — — US disclosed
WO-1996040670-A1 2-IMINOCHROMENE DERIVATIVES AS INHIBITORS OF PROTEIN TYROSINE KINASE RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1996-12-19 — — 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 (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-20110028474-A1 PROTEIN KINASE AND PHOSPHATASE INHIBITORS PTPN5, PTPN2, PTPN4 NPC1 3928/4885RAB9A 3134/4885CASP3 3917/4885
US-20060030544-A1 Protein kinase and phosphatase inhibitors and methods for designing them PTPN5, PTPN2, PTPN6 NPC1 4105/4885RAB9A 3147/4885CASP3 3878/4885
US-20040019015-A1 Protection against and treatment of hearing loss NTRK2, AIFM2, AIFM1 NPC1 2774/4885RAB9A 3949/4885CASP3 397/4885
US-20110136807-A1 Bicyclic compositions and methods for modulating a kinase cascade MAP3K20, MAP3K6, MAP3K2 NPC1 3337/4885RAB9A 3205/4885CASP3 1685/4885
US-20030166615-A1 Protein kinase and phosphatase inhibitors and methods for designing them PTPN5, PTPN2, PTPN6 NPC1 4105/4885RAB9A 3147/4885CASP3 3878/4885

“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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