SCHEMBL77876

SCHEMBL77876

Nc1ccc(-c2cccnc2)cc1N

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 4/20 0.63
MKNK2 Q9HBH9 4/20 0.63
MEN1 O00255 2/20 0.63
PSIP1 O75475 1/20 0.63
AXL P30530 1/20 0.63
CYP2A6 P11509 3/20 0.60
ALDH1A1 P00352 1/20 0.60
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP11B1 P15538 5/20 0.56
CYP11B2 P19099 5/20 0.56
CYP19A1 P11511 2/20 0.56
CYP17A1 P05093 1/20 0.56
KMT2A Q03164 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
AURKA O14965 1/20 0.56
TTK P33981 1/20 0.56
AURKB Q96GD4 1/20 0.56
INCENP Q9NQS7 1/20 0.56
PIK3CD O00329 1/20 0.53

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
SCHEMBL30516501 1.00 MKNK1 (0.63) MKNK1MKNK2MEN1PSIP1AXL
SCHEMBL22497670 0.96 MKNK1 (0.65) MKNK1MKNK2MEN1PSIP1AXL
SCHEMBL28857629 0.83 ALDH1A1 (0.61) MKNK1MKNK2MEN1PSIP1AXL
SCHEMBL2377996 0.83 MKNK1 (0.58) MKNK1MKNK2MEN1PSIP1AXL
SCHEMBL29898220 0.83 ALDH1A1 (0.61) MKNK1MKNK2MEN1PSIP1AXL
SCHEMBL20409462 0.83 MKNK1 (0.58) MKNK1MKNK2MEN1PSIP1AXL
SCHEMBL4703894 0.83 MEN1 (0.61) MKNK1MKNK2MEN1PSIP1AXL
SCHEMBL12491570 0.83 MKNK1 (0.60) MKNK1MKNK2MEN1PSIP1AXL
SCHEMBL11371958 0.83 MKNK1 (0.62) MKNK1MKNK2MEN1PSIP1AXL
SCHEMBL28312503 0.82 MKNK1 (0.56) MKNK1MKNK2MEN1PSIP1AXL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288425-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2012-10-16 US disclosed
US-8288425-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2012-10-16 US disclosed
US-8288425-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2012-10-16 US disclosed
US-8129396-B2 2-[1H-benzimidazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides and 2-[benzothiazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides as kinase inhibitors TELIK, INC. (US) 2012-03-06 US disclosed
CN-102159568-A 2-[1H-Benzimidazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides and 2-[benzothiazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides as kinase inhibitors TELIK INC 2011-08-17 CN disclosed
EP-2346856-A1 2-[1H-BENZIMIDAZOL-2(3H)-YLIDENE]-2-(PYRIMIDIN-2-YL)ACETAMIDES AND 2-[BENZOTHIAZOL-2(3H)-YLIDENE]-2-(PYRIMIDIN-2-YL)ACETAMIDES AS KINASE INHIBITORS Telik, Inc. (US) 2011-07-27 EP disclosed
EP-2336122-A1 1-pyrimidinyl- or 1-pyridinyl-2-amino benzimidazole derivatives and related compounds as inhibitors of protein kinases for the treatment of cancer Vertex Pharmaceuticals Incorporated (US) 2011-06-22 EP disclosed
US-20100081653-A1 2-[1H-Benzimidazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides and 2-[benzothiazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides as kinase inhibitors TELIK, INC. 2010-04-01 US disclosed
WO-2010036873-A1 2-[1H-Benzimidazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides and 2-[benzothiazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides as kinase inhibitors TELIK, INC. (US) 2010-04-01 WO disclosed
EP-1557410-B1 Bacterial gyrase inhibitors and uses thereof VERTEX PHARMA (US) 2009-09-16 EP disclosed
WO-2002060879-A2 BACTERIAL GYRASE INHIBITORS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2002-08-08 WO disclosed
US-RE36256-E ADMINISTERING ARYL-SUBSTITUTED QUINOXALINE DERIVATIVES AS ANTIPROLIFERATIVE, ANTICARCINOGENIC AND ANTITUMOR AGENTS RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) 1999-07-20 US disclosed
US-5795889-A INHIBITING CELL GROWTH WITH ENZYME INHIBITORS FOR SKIN DISORDERS RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1998-08-18 US disclosed
US-5646153-A INHIBITING ABNORMAL CELL PROLIFERATION RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1997-07-08 US disclosed
US-5480883-A Bis mono- and bicyclic aryl and heteroaryl compounds which inhibit EGF and/or PDGF receptor tyrosine kinase RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1996-01-02 US disclosed
EP-0056260-A1 Pyridinyl-substituted-benz imidazole derivatives and preparation STERLING DRUG INC. (US) 1982-07-21 EP disclosed
EP-0055453-A2 5-(Pyridinyl)-benzimidazole derivatives and preparation STERLING DRUG INC. (US) 1982-07-07 EP disclosed
US-4335132-A 5-(Py-Y)-1H-benzimidazol-2-ols and 5-(Py-Y-)-1H-benzimidazole-2-thiols STERLING DRUG, INC. (US) 1982-06-15 US disclosed
US-4331671-A 5-(Pyridinyl)-1H-benzimidazoles and 1-hydroxy-6-(pyridinyl)-1H-benzimidazoles and their cardiotonic use STERLING DRUG INC. (US) 1982-05-25 US disclosed
US-4297362-A 4-(3,4-Diaminophenyl)pyridine or salts, and use thereof as cardiotonic STERLING DRUG INC. (US) 1981-10-27 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 (1 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-20100081653-A1 2-[1H-Benzimidazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides and 2-[benzothiazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides as kinase inhibitors MAP3K2, MAP4K2, MAP3K12 MKNK1 97/4885MKNK2 62/4885MEN1 3485/4885

“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.