SCHEMBL3534853

SCHEMBL3534853

CCN1CCN(c2ccc3nc(-c4n[nH]c5cc(C#N)ccc45)n(C)c3c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 2/20 0.48
FGFR2 P21802 1/20 0.48
ITK Q08881 2/20 0.42
CHEK1 O14757 3/20 0.40
CDK7 P50613 2/20 0.40
KHK P50053 2/20 0.40
DRD2 P14416 3/20 0.39
FLT1 P17948 1/20 0.39
HTR1A P08908 3/20 0.39
ALK Q9UM73 1/20 0.39
DRD3 P35462 2/20 0.38
DRD4 P21917 1/20 0.38
CCNT1 O60563 1/20 0.38
CCNK O75909 1/20 0.38
CCNE1 P24864 1/20 0.38
CDK2 P24941 1/20 0.38
CDK9 P50750 1/20 0.38
CDK12 Q9NYV4 1/20 0.38
PDE12 Q6L8Q7 1/20 0.38

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
SCHEMBL3538529 0.86 FGFR1 (0.51) FGFR1FGFR2CHEK1KHKFLT1
SCHEMBL3538866 0.86 FGFR1 (0.51) FGFR1FGFR2ITKKHKFLT1
SCHEMBL3536833 0.84 FGFR1 (0.48) FGFR1FGFR2KHKDRD2FLT1
SCHEMBL13549069 0.82 ITK (0.57) ITKCHEK1CDK7CCNT1CCNK
SCHEMBL3537657 0.81 PRKDC (0.46) FGFR1FGFR2KHKDRD2FLT1
SCHEMBL3540234 0.80 ITK (0.48) ITKCHEK1CDK7CCNT1CCNK
SCHEMBL3535283 0.79 FGFR1 (0.52) FGFR1FGFR2KHKFLT1
SCHEMBL3537456 0.78 ITK (0.53) FGFR1ITKCHEK1CDK7CCNT1
SCHEMBL3535903 0.78 LCK (0.47) FGFR1FGFR2KHKFLT1HTR1A
SCHEMBL3536967 0.77 ABL1 (0.52) FGFR1FGFR2KHKFLT1

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 4 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-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-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-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 FGFR1 886/4885FGFR2 1236/4885ITK 1055/4885

“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.