SCHEMBL13662003

SCHEMBL13662003

CCC1CN(C)C(C)CN1c1ccc(Nc2nccc(-c3ccc(N(C)C)nc3)n2)cc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 8/20 0.40
CDK9 P50750 6/20 0.40
EGFR P00533 2/20 0.39
CCNA2 P20248 3/20 0.38
CDK2 P24941 3/20 0.38
CCNA1 P78396 3/20 0.38
BTK Q06187 3/20 0.37
ACVR1 Q04771 1/20 0.37
PRKD3 O94806 1/20 0.36
PRKCG P05129 1/20 0.36
PRKCB P05771 1/20 0.36
LCK P06239 1/20 0.36
PRKCA P17252 1/20 0.36
PRKCH P24723 1/20 0.36
PRKCI P41743 1/20 0.36
ZAP70 P43403 1/20 0.36
PRKCE Q02156 1/20 0.36
PRKCQ Q04759 1/20 0.36
PRKCZ Q05513 1/20 0.36
PRKCD Q05655 1/20 0.36

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
SCHEMBL4286098 0.83 PAK1 (0.43) BRD4CDK9EGFRCCNA2CDK2
SCHEMBL4282165 0.83 PAK1 (0.43) BRD4CDK9EGFRCCNA2CDK2
SCHEMBL4285252 0.80 BRD4 (0.39) BRD4CDK9EGFRBTKACVR1
SCHEMBL4279991 0.80 BRD4 (0.39) BRD4CDK9EGFRBTKACVR1
SCHEMBL4280945 0.74 CDK2 (0.42) BRD4CDK9EGFRCDK2BTK
SCHEMBL4283265 0.74 CDK2 (0.42) BRD4CDK9EGFRCDK2BTK
SCHEMBL4281749 0.74 PAK1 (0.44) BRD4CDK9EGFRCCNA2CDK2
SCHEMBL4287090 0.74 PAK1 (0.44) BRD4CDK9EGFRCCNA2CDK2
SCHEMBL4287037 0.74 JAK2 (0.39) BRD4BTKZAP70
SCHEMBL4281091 0.74 JAK2 (0.39) BRD4BTKZAP70

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 14/4885EGFR 501/4885

“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.