SCHEMBL3521153

SCHEMBL3521153

c1ccc(-c2ccc3c(-c4nc5ccccc5[nH]4)n[nH]c3c2)cc1

nearest known ligand 0.83

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 7/20 0.83
CDK4 P11802 11/20 0.80
CCNA2 P20248 11/20 0.80
CCND1 P24385 11/20 0.80
CDK2 P24941 11/20 0.80
CCND3 P30281 11/20 0.80
JAK2 O60674 6/20 0.80
JAK1 P23458 6/20 0.80
TYK2 P29597 6/20 0.80
JAK3 P52333 6/20 0.80
FGFR1 P11362 2/20 0.69
FLT1 P17948 1/20 0.69
KDR P35968 5/20 0.65
PDPK1 O15530 3/20 0.61

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
SCHEMBL3532060 0.92 CHEK1 (0.79) CHEK1CDK4CCNA2CCND1CDK2
SCHEMBL5251709 0.91 CHEK1 (1.00) CHEK1CDK4CCNA2CCND1CDK2
SCHEMBL5508118 0.89 PDPK1 (0.74) CHEK1CDK4CCNA2CCND1CDK2
SCHEMBL5246946 0.89 CDK4 (1.00) CHEK1CDK4CCNA2CCND1CDK2
SCHEMBL5953064 0.86 FGFR1 (0.69) CHEK1CDK4CCNA2CCND1CDK2
SCHEMBL5250638 0.86 CDK4 (0.71) CHEK1CDK4CCNA2CCND1CDK2
SCHEMBL311148 0.82 FGFR1 (1.00) CHEK1CDK4CCNA2CCND1CDK2
SCHEMBL29714859 0.82 FGFR1 (1.00) CHEK1CDK4CCNA2CCND1CDK2
SCHEMBL3537487 0.82 ITK (0.80) CHEK1CDK4CCNA2CCND1CDK2
SCHEMBL3543632 0.82 FGFR1 (0.71) CHEK1CDK4CCNA2CCND1CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015075051-A1 ALLOSTERIC INHIBITORS OF ATYPICAL PROTEIN KINASES C UNIVERSITAET DES SAARLANDES (DE) 2015-05-28 WO disclosed
US-20120270313-A1 Compositions and Methods for Establishing and Maintaining Stem Cells in an Undiffferentiated State UNIVERSITY OF KANSAS (US) 2012-10-25 US disclosed
US-8193235-B2 Compositions and methods for establishing and maintaining stem cells in an undifferentiated state UNIVERSITY OF KANSAS (US) 2012-06-05 US disclosed
US-20100317100-A1 Compositions and methods for establishing and maintaining stem cells in an undifferentiated state UNIVERSITY OF KANSAS 2010-12-16 US disclosed
WO-2010049173-A1 USE OF INHIBITORS OF HOST KINASES FOR THE TREATMENT OF INFECTIOUS DISEASES CENIX BIOSCIENCE GMBH (DE) 2010-05-06 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 (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-20100317100-A1 Compositions and methods for establishing and maintaining stem cells in an undifferentiated state MCL1, PRKCA, PRKCI CHEK1 661/4885CDK4 259/4885CCNA2 1063/4885

“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.