SCHEMBL13662000

SCHEMBL13662000

Cc1cc(Nc2nccc(-c3ccc(I)nc3)n2)ccc1N1CC2CC1CN2C

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 6/20 0.42
CDK9 P50750 4/20 0.42
PAK1 Q13153 1/20 0.41
CCNA2 P20248 3/20 0.40
CDK2 P24941 3/20 0.40
CCNA1 P78396 3/20 0.40
CHRNA7 P36544 2/20 0.39
KCNH2 Q12809 2/20 0.39
EGFR P00533 2/20 0.39
JAK2 O60674 2/20 0.39
JAK1 P23458 2/20 0.39
ABL1 P00519 1/20 0.38
BCR P11274 1/20 0.38
TYK2 P29597 1/20 0.38
BTK Q06187 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
SCHEMBL13657918 0.90 BRD4 (0.42) BRD4CDK9PAK1CCNA2CDK2
SCHEMBL4281083 0.90 BRD4 (0.42) BRD4CDK9PAK1CCNA2CDK2
SCHEMBL4286098 0.88 PAK1 (0.43) BRD4CDK9PAK1CCNA2CDK2
SCHEMBL4282165 0.88 PAK1 (0.43) BRD4CDK9PAK1CCNA2CDK2
SCHEMBL4278002 0.87 CCNA2 (0.42) BRD4CDK9PAK1CCNA2CDK2
SCHEMBL4282435 0.87 CCNA2 (0.42) BRD4CDK9PAK1CCNA2CDK2
SCHEMBL4290632 0.86 CDK2 (0.42) BRD4CDK9PAK1CDK2KCNH2
SCHEMBL4290612 0.86 PAK1 (0.42) BRD4CDK9PAK1CCNA2CDK2
SCHEMBL4281635 0.86 PAK1 (0.42) BRD4CDK9PAK1CCNA2CDK2
SCHEMBL4277420 0.86 CDK2 (0.42) BRD4CDK9PAK1CDK2KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090258864-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES RIGEL PHARMACEUTICALS, INC. (US) 2009-10-15 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-20090258864-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 BRD4 535/4885CDK9 14/4885PAK1 458/4885

“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.