SCHEMBL79024

SCHEMBL79024

Nc1ccc(Cn2ccnc2)cc1N

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 13/20 0.67
CYP11B2 P19099 12/20 0.67
CYP19A1 P11511 8/20 0.59
CYP2A6 P11509 1/20 0.59
CYP2B6 P20813 1/20 0.59
TBXAS1 P24557 2/20 0.56
CYP1A2 P05177 1/20 0.56
POLB P06746 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
MAPT P10636 1/20 0.56
QPCT Q16769 1/20 0.56
CYP4Z1 Q86W10 1/20 0.56
QPCTL Q9NXS2 1/20 0.56

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
SCHEMBL10697972 0.82 CYP11B1 (0.56) CYP11B1CYP11B2CYP19A1CYP2A6CYP2B6
SCHEMBL7726168 0.82 CYP11B1 (0.56) CYP11B1CYP11B2CYP19A1CYP2A6CYP2B6
SCHEMBL10699120 0.82 CYP11B1 (0.56) CYP11B1CYP11B2CYP19A1CYP2A6CYP2B6
SCHEMBL1024261 0.81 CYP11B1 (0.84) CYP11B1CYP11B2CYP19A1CYP2A6CYP2B6
SCHEMBL15399684 0.80 CYP19A1 (0.87) CYP11B1CYP11B2CYP19A1CYP2A6CYP2B6
SCHEMBL77025 0.80 CYP11B1 (1.00) CYP11B1CYP11B2CYP19A1CYP2A6CYP2B6
SCHEMBL76730 0.79 ALDH1A1 (0.64) CYP11B1CYP11B2CYP19A1CYP2A6CYP2B6
Hydrochloric Acid SCHEMBL1775141 0.79 CYP11B1 (0.81) CYP11B1CYP11B2CYP19A1CYP2A6CYP2B6
Hydrochloric Acid SCHEMBL30946847 0.79 CYP11B1 (0.96) CYP11B1CYP11B2CYP19A1CYP2A6CYP2B6
SCHEMBL394308 0.78 CYP11B1 (0.83) CYP11B1CYP11B2CYP19A1CYP2A6CYP2B6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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
CN-1036003-C A process for preparing (1H-azol-1-ylmethyl) substituted quinoxaline derivatives JANSSEN PHARMACEUTICA NV (BE) 1997-10-01 CN disclosed
CN-1033752-C (1H-azol-1-ylmethyl) substituted quinoline or quinolinone derivatives JANSSEN PHARMACEUTICA NV (SE) 1997-01-08 CN disclosed
CN-1106004-A A process for preparing (1H-azol-1-ylmethyl) substituted quinazoline derivatives JANSSEN PHARMACEUTICA NV (BE) 1995-08-02 CN disclosed
CN-1106005-A A process for preparing (1H-azol-1-ylmethyl) substituted quinoxaline derivatives JANSSEN PHARMACEUTICA NV (BE) 1995-08-02 CN disclosed
EP-0371564-B1 (1H-azol-1-ylmethyl)substituted quinoline, quinazoline or quinoxaline derivatives JANSSEN PHARMACEUTICA NV (BE) 1995-07-12 EP disclosed
CN-1020903-C (1H-IMIDAZOL-1-YLMETHYL) SUBSTITUTED BENZIMIDAZOLE DERIVATIVES AND THE PREPARATION THEREFOR JANSSEN PHARMACEUTICA NV (BE) 1993-05-26 CN disclosed
EP-0260744-B1 (1H-IMIDAZOL-1-YLMETHYL) SUBSTITUTED BENZIMIDAZOLE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1992-12-16 EP disclosed
US-5151421-A Compounds for inhibition of metabolism of retinoids, for treatment for proliferation of epithelial cells and keratin disorders JANSSEN PHARMACEUTICA N.V. (BE) 1992-09-29 US disclosed
US-5028606-A Retinoid metabolism inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 1991-07-02 US disclosed
CN-1042912-A (1H-oxazol-1-ylmethyl) substituted quinoline, quinazoline or quinoxaline derivatives JANSSEN PHARMACEUTICA NV (BE) 1990-06-13 CN disclosed
EP-0371564-A2 (1H-azol-1-ylmethyl)substituted quinoline, quinazoline or quinoxaline derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1990-06-06 EP disclosed
US-4859684-A (1H-imidazol-1-ylmethyl) substituted benzimidazole derivatives and use thereof in treating androgen dependent disorders JANSSEN PHARMACEUTICA N.V. (BE) 1989-08-22 US disclosed
EP-0268178-A1 Pyrrolo-benzimidazoles, medicaments containing these compounds and process for their preparation Dr. Karl Thomae GmbH (DE) 1988-05-25 EP disclosed
CN-87106423-A Novel (1H-imidazol-1-ylmethyl) substituted benzimidazole derivatives and process for their preparation 1988-04-20 CN disclosed
EP-0260744-A2 (1H-imidazol-1-ylmethyl) substituted benzimidazole derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1988-03-23 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 (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 CYP11B1 4740/4885CYP11B2 4486/4885CYP19A1 3796/4885

“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.