SCHEMBL3537487

SCHEMBL3537487

Oc1ccc2c(-c3nc4ccccc4[nH]3)n[nH]c2c1

nearest known ligand 0.80

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITK Q08881 1/20 0.80
CDK4 P11802 11/20 0.78
CCNA2 P20248 11/20 0.78
CCND1 P24385 11/20 0.78
CDK2 P24941 11/20 0.78
CCND3 P30281 11/20 0.78
JAK2 O60674 5/20 0.77
JAK1 P23458 5/20 0.77
TYK2 P29597 5/20 0.77
JAK3 P52333 5/20 0.77
CHEK1 O14757 8/20 0.73
KDR P35968 4/20 0.73
FGFR1 P11362 2/20 0.71
FLT1 P17948 1/20 0.71
CDK1 P06493 1/20 0.67
PDPK1 O15530 1/20 0.60

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
SCHEMBL3537965 0.89 ITK (0.76) ITKCDK4CCNA2CCND1CDK2
SCHEMBL5254386 0.88 CDK4 (1.00) ITKCDK4CCNA2CCND1CDK2
SCHEMBL5246946 0.87 CDK4 (1.00) ITKCDK4CCNA2CCND1CDK2
SCHEMBL3532060 0.84 CHEK1 (0.79) CDK4CCNA2CCND1CDK2CCND3
SCHEMBL29714859 0.84 FGFR1 (1.00) ITKCDK4CCNA2CCND1CDK2
SCHEMBL311148 0.84 FGFR1 (1.00) ITKCDK4CCNA2CCND1CDK2
SCHEMBL3543632 0.83 FGFR1 (0.71) ITKCDK4CCNA2CCND1CDK2
SCHEMBL3533781 0.83 FGFR1 (0.71) ITKCDK4CCNA2CCND1CDK2
SCHEMBL3537031 0.83 FGFR1 (0.71) ITKCDK4CCNA2CCND1CDK2
SCHEMBL3534644 0.83 FGFR1 (0.71) ITKCDK4CCNA2CCND1CDK2

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
US-7674823-B2 DNA-PK inhibitors CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2010-03-09 US disclosed
US-7642278-B2 Nitrogen compounds such as 3-(5-morpholin-4-yl-1H-benz-imidazol-2-yl)-1H-indazole and/or isomers, used as immunology modulators, antidiabetic agents, antiogenesis inhibitors or for prophylaxis of Alzheimer's disease NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2010-01-05 US disclosed
US-20070238729-A1 DNA-PK INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2007-10-11 US disclosed
US-7226918-B2 DNA-PK inhibitors CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2007-06-05 US disclosed
US-7064215-B2 Indazole benzimidazole compounds CHIRON CORPORATION (US) 2006-06-20 US disclosed
US-20060079564-A1 Indazole benzimidazole compounds CHIRON CORPORATION 2006-04-13 US disclosed
US-20040192687-A1 Dna-pk inhibitors CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 2004-09-30 US disclosed
EP-1417196-A1 DNA-PK INHIBITORS Cancer Research Technology Limited (GB) 2004-05-12 EP disclosed
EP-1401831-A1 INDAZOLE BENZIMIDAZOLE COMPOUNDS AS TYROSINE AND SERINE/THREONINE KINASE INHIBITORS CHIRON CORPORATION (US) 2004-03-31 EP disclosed
US-20030207883-A1 Indazole benzimidazole compounds CHIRON CORPORATION 2003-11-06 US disclosed
WO-2003024949-A1 DNA-PK INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2003-03-27 WO disclosed
WO-2003004488-A1 INDAZOLE BENZIMIDAZOLE COMPOUNDS AS TYROSINE AND SERINE/THREONINE KINASE INHIBITORS CHIRON CORPORATION (US) 2003-01-16 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 (4 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-20060079564-A1 Indazole benzimidazole compounds ABL1, ABL2, ALK ITK 1055/4885CDK4 646/4885CCNA2 3156/4885
US-20040192687-A1 Dna-pk inhibitors ATM, CHEK1, XRCC6 ITK 408/4885CDK4 122/4885CCNA2 1161/4885
US-20070238729-A1 DNA-PK INHIBITORS ATM, CHEK2, CHEK1 ITK 236/4885CDK4 39/4885CCNA2 610/4885
US-20030207883-A1 Indazole benzimidazole compounds SLCO1B3, SLCO1B1, SLCO4C1 ITK 855/4885CDK4 1387/4885CCNA2 4010/4885

“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.