SCHEMBL6620114

SCHEMBL6620114

CC(=O)Nc1ccc2c(c1)C(=O)NC(=O)C2(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
ALDH1A1 P00352 4/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
NPC1 O15118 1/20 0.48
MAPT P10636 1/20 0.48
MAOA P21397 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
PDK2 Q15119 1/20 0.46
KDM4E B2RXH2 3/20 0.46
HPGD P15428 2/20 0.46
CASP3 P42574 1/20 0.45
GLA P06280 1/20 0.44
GSK3B P49841 1/20 0.44
ALOX12 P18054 1/20 0.44
FTO Q9C0B1 1/20 0.43

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
SCHEMBL10546716 0.87 KDM4E (0.45) ALDH1A1KMT2AMEN1KDM4EHPGD
SCHEMBL10540170 0.86 ALDH1A1 (0.44) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL10545821 0.85 APEX1 (0.46) ALDH1A1KDM4EHPGDCASP3GLA
SCHEMBL10540562 0.82 KDM4E (0.41) ALDH1A1KMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL10543598 0.82 KDM4E (0.47) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL9834136 0.82 NQO2 (0.51) CA12CA1CA2CA9ALDH1A1
SCHEMBL10540558 0.82 KDM4E (0.48) ALDH1A1KMT2ANPC1MAPTRAB9A
SCHEMBL9377904 0.82 ALDH1A1 (0.42) ALDH1A1KMT2AMEN1PDK2KDM4E
SCHEMBL10544373 0.81 KDM4E (0.40) ALDH1A1KMT2AMEN1MAPTKDM4E
Hydrochloric Acid SCHEMBL10541711 0.80 MDM2 (0.46) ALDH1A1KMT2AMEN1MAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1222187-B1 HETEROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF TYROSINE KINASES BOEHRINGER INGELHEIM PHARMA (US) 2004-09-22 EP disclosed
US-6770639-B2 CELL PROLIFERATIVE; AUTOIMMUNE DISEASES; ANTIALLERGENS; ANTIINFLAMMATORY AGENTS; ANTICANCER AGENTS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-08-03 US disclosed
US-20030166929-A1 Heterocyclic compounds useful as inhibitors of tyrosine kinases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-09-04 US disclosed
US-6506769-B2 Pyridine -imidazole, -thiazole or -oxazole derivatives; treating autoimmune diseases, chronic inflammatory diseases, allergic diseases, transplant rejection and cancer BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-01-14 US disclosed
EP-1222187-A2 HETEROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF TYROSINE KINASES BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2002-07-17 EP disclosed
US-20020016460-A1 Heterocyclic compounds useful as inhibitors of tyrosine kinases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2002-02-07 US disclosed
WO-2001025238-A2 HETEROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF TYROSINE KINASES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2001-04-12 WO disclosed
EP-0275888-B1 Tricyclic benzimidazoles, process for their preparation and use as medicaments BOEHRINGER MANNHEIM GMBH (DE) 1994-04-06 EP disclosed
US-5116843-A Anticoagulants, hypotensive agents and cardiovascular disorder BOEHRINGER MANNHEIM GMBH (DE) 1992-05-26 US disclosed
US-4954498-A HYPOTENSIVE AGENTS, ANTICOAGULANTS, CARDIOVASCULAR DISORDERS BOEHRINGER MANNHEIM GMBH (DE) 1990-09-04 US disclosed
EP-0275888-A2 Tricyclic benzimidazoles, process for their preparation and use as medicaments Roche Diagnostics GmbH (DE) 1988-07-27 EP disclosed
US-4176184-A CARDIOTONICS, HYPOTENSIVES, ANTITHROMBOTICS AND ANTIARRHYTHMICS BOEHRINGER INGELHEIM GMBH (DE) 1979-11-27 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 (2 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-20020016460-A1 Heterocyclic compounds useful as inhibitors of tyrosine kinases LTK, FRK, JAK1 CA12 4047/4885CA1 1445/4885CA2 3174/4885
US-20030166929-A1 Heterocyclic compounds useful as inhibitors of tyrosine kinases LTK, FRK, JAK1 CA12 4047/4885CA1 1445/4885CA2 3174/4885

“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.