SCHEMBL3598153

SCHEMBL3598153

Fc1ccc2c(-c3nc4ccncc4[nH]3)n[nH]c2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.57
PKM P14618 1/20 0.57
CDK4 P11802 1/20 0.56
CCNA2 P20248 1/20 0.56
CCND1 P24385 1/20 0.56
CDK2 P24941 1/20 0.56
CCND3 P30281 1/20 0.56
CHEK1 O14757 3/20 0.55
CLK2 P49760 4/20 0.50
CLK3 P49761 4/20 0.50
DYRK1A Q13627 4/20 0.50
FGFR1 P11362 3/20 0.50
FLT1 P17948 2/20 0.50
KDR P35968 1/20 0.50
CYP11B1 P15538 1/20 0.49
MAP2K4 P45985 1/20 0.49
ITK Q08881 1/20 0.48
MAP3K8 P41279 1/20 0.46
RPS6KA5 O75582 1/20 0.46
RET P07949 1/20 0.46

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
SCHEMBL3538807 0.91 ALDH1A1 (0.58) ALDH1A1PKMCDK4CCNA2CCND1
SCHEMBL17555489 0.85 CLK2 (0.57) ALDH1A1PKMCDK4CCNA2CCND1
SCHEMBL3538139 0.85 ALDH1A1 (0.57) ALDH1A1PKMCDK4CCNA2CCND1
SCHEMBL3543632 0.83 FGFR1 (0.71) CDK4CCNA2CCND1CDK2CCND3
SCHEMBL3536504 0.81 FGFR1 (0.73) CDK4CCNA2CCND1CDK2CCND3
SCHEMBL5953214 0.79 CHEK1 (0.53) CDK4CCNA2CCND1CDK2CCND3
SCHEMBL3539728 0.78 KDM4E (0.58) ALDH1A1PKMCDK4CCNA2CCND1
SCHEMBL3537440 0.78 CHEK1 (0.48) CHEK1FGFR1FLT1KDRMAP2K4
SCHEMBL17556295 0.76 FGFR1 (0.73) ALDH1A1PKMCDK4CCNA2CCND1
SCHEMBL31172403 0.76 CHEK1 (0.70) CHEK1FGFR1FLT1KDRMAP2K4

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 ALDH1A1 1562/4885PKM 1235/4885CDK4 646/4885

“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.