SCHEMBL3917601

SCHEMBL3917601

Oc1ccc2[nH]nc(C=Cc3ccccc3)c2c1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 14/20 0.67
KDR P35968 8/20 0.62
CDK4 P11802 3/20 0.60
CCND1 P24385 3/20 0.60
CCND3 P30281 3/20 0.60
LCK P06239 1/20 0.60
AURKA O14965 4/20 0.56
FGFR1 P11362 1/20 0.53
AURKB Q96GD4 2/20 0.53
CCNA2 P20248 2/20 0.52
CDK2 P24941 2/20 0.52
CDK1 P06493 1/20 0.52

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
SCHEMBL3917597 1.00 CHEK1 (0.67) CHEK1KDRCDK4CCND1CCND3
SCHEMBL5508124 0.86 CHEK1 (0.61) CHEK1KDRCDK4CCND1CCND3
SCHEMBL5508123 0.86 CHEK1 (0.61) CHEK1KDRCDK4CCND1CCND3
SCHEMBL5511824 0.82 CHEK1 (0.78) CHEK1KDRCDK4CCND1CCND3
SCHEMBL17982219 0.82 CHEK1 (0.57) CHEK1KDRCDK4CCND1CCND3
SCHEMBL5511827 0.82 CHEK1 (0.78) CHEK1KDRCDK4CCND1CCND3
SCHEMBL17982218 0.82 CHEK1 (0.57) CHEK1KDRCDK4CCND1CCND3
SCHEMBL11924700 0.81 CHEK1 (0.56) CHEK1KDRCDK4CCND1CCND3
SCHEMBL2458766 0.80 CHEK1 (0.67) CHEK1KDRCDK4CCND1CCND3
SCHEMBL2458765 0.80 CHEK1 (0.67) CHEK1KDRCDK4CCND1CCND3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1732938-B1 ORGANOPHOSPHOROUS INDAZOLE DERIVATIVES AND USE THEREOF AS PROTEIN KINASE INHIBITORS AVENTIS PHARMA SA (FR) 2009-05-06 EP disclosed
US-7491710-B2 Organophosphorus derivatives of indazoles and use thereof as medicinal products AVENTIS PHARMA S.A. (FR) 2009-02-17 US disclosed
CN-1894264-A Organophosphorous indazole derivatives and use thereof as protein kinase inhibitors AVENTIS PHARMA SA (FR) 2007-01-10 CN disclosed
EP-1732938-A1 ORGANOPHOSPHOROUS INDAZOLE DERIVATIVES AND USE THEREOF AS PROTEIN KINASE INHIBITORS Aventis Pharma S.A. (FR) 2006-12-20 EP disclosed
WO-2005058923-A1 ORGANOPHOSPHOROUS INDAZOLE DERIVATIVES AND USE THEREOF AS PROTEIN KINASE INHIBITORS AVENTIS PHARMA S.A. (FR) 2005-06-30 WO disclosed
US-20050137171-A1 Novel organophosphorus derivatives of indazoles and use thereof as medicinal products AVENTIS PHARMA S.A. (FR) 2005-06-23 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-20050137171-A1 Novel organophosphorus derivatives of indazoles and use thereof as medicinal products PPIP5K2, INPPL1, IP6K3 CHEK1 43/4885KDR 2842/4885CDK4 959/4885

“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.