SCHEMBL3537178

SCHEMBL3537178

CN1CCN(c2ccc3[nH]c(-c4n[nH]c5cc(O)ccc45)nc3c2)CC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 9/20 0.65
CDK4 P11802 6/20 0.65
CCNA2 P20248 6/20 0.65
CCND1 P24385 6/20 0.65
CCND3 P30281 6/20 0.65
FGFR1 P11362 6/20 0.63
FLT1 P17948 2/20 0.63
PRKCZ Q05513 4/20 0.55
TOP1 P11387 2/20 0.53
TOP2A P11388 2/20 0.53
ALDH1A1 P00352 1/20 0.53
HPGD P15428 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HSD17B10 Q99714 1/20 0.53
ITK Q08881 1/20 0.50
FLT3 P36888 1/20 0.50
KDR P35968 3/20 0.48
CHEK1 O14757 1/20 0.48
FGFR2 P21802 2/20 0.48
PDGFRA P16234 1/20 0.48

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
SCHEMBL3538752 0.93 FGFR1 (0.64) CDK2CDK4CCNA2CCND1CCND3
SCHEMBL3535090 0.89 CDK2 (0.53) CDK2CDK4CCNA2CCND1CCND3
SCHEMBL3535528 0.85 FGFR1 (0.61) CDK2CDK4CCNA2CCND1CCND3
SCHEMBL3537827 0.84 CDK2 (0.51) CDK2CDK4CCNA2CCND1CCND3
SCHEMBL3542673 0.84 FGFR1 (0.70) CDK2CDK4CCNA2CCND1CCND3
SCHEMBL3537327 0.82 CDK2 (0.59) CDK2CDK4CCNA2CCND1CCND3
SCHEMBL14892593 0.82 FGFR1 (0.76) CDK2CDK4CCNA2CCND1CCND3
SCHEMBL3539547 0.82 FGFR1 (0.61) CDK2CDK4CCNA2CCND1CCND3
SCHEMBL3531284 0.82 FGFR1 (0.51) CDK2CDK4CCNA2CCND1CCND3
SCHEMBL3539700 0.81 FGFR1 (0.65) CDK2CDK4CCNA2CCND1CCND3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

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-20060079564-A1 Indazole benzimidazole compounds ABL1, ABL2, ALK CDK2 609/4885CDK4 646/4885CCNA2 3156/4885

“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.