SCHEMBL3974670

SCHEMBL3974670

CNC(=O)Nc1ncc2cnc(Nc3ccc(F)cc3)nc2n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 3/20 0.49
HDAC3 O15379 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
AURKA O14965 2/20 0.47
BRAF P15056 1/20 0.46
CDK4 P11802 1/20 0.44
CCND1 P24385 1/20 0.44
CCND2 P30279 1/20 0.44
CCND3 P30281 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
CDK2 P24941 3/20 0.43
CDK9 P50750 3/20 0.43
STK17A Q9UEE5 2/20 0.43
CDC7 O00311 1/20 0.43
DAPK3 O43293 1/20 0.43
PAK4 O96013 1/20 0.43

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
SCHEMBL7509153 0.73 AURKA (0.53) HDAC3HDAC1HDAC2HDAC6AURKA
SCHEMBL6073879 0.73 PIK3CA (0.52) HDAC3HDAC1HDAC2HDAC6AURKA
SCHEMBL4417189 0.73 GSK3B (0.40) PTK2HDAC3HDAC1HDAC2HDAC6
SCHEMBL4239474 0.73 CSNK1A1 (0.52) AURKACDK4CCND1CCND2CCND3
SCHEMBL27846099 0.73 AURKA (0.68) AURKA
SCHEMBL11570119 0.72 KMT2A (0.44) PTK2AURKACDK4CCND1RAB9A
SCHEMBL3971186 0.72 BRAF (0.43) AURKABRAFCDK4CCND1CCND2
SCHEMBL6073764 0.72 PIK3CA (0.53) HDAC3HDAC1HDAC2HDAC6AURKA
SCHEMBL6073466 0.71 PIK3CA (0.52) AURKABRAFCDK4CCND1CCND2
SCHEMBL7951644 0.71 ALDH1A1 (0.64) NPC1RAB9ASMN1; SMN2CA12CA1

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
US-7501425-B1 Bicyclic pyrimidines and bicyclic 3,4-dihydropyprimidines as inhibitors of cellular proliferation WARNER LAMBERT COMPANY (US) 2009-03-10 US claimed
EP-1801112-A1 Bicyclic pyrimidines and bicyclic 3,4-dihydropyrimidines as inhibitors of cellular proliferation Warner-Lambert Company LLC (US) 2007-06-27 EP claimed
US-7501425-B1 Bicyclic pyrimidines and bicyclic 3,4-dihydropyprimidines as inhibitors of cellular proliferation WARNER LAMBERT COMPANY (US) 2009-03-10 US disclosed
EP-1801112-A1 Bicyclic pyrimidines and bicyclic 3,4-dihydropyrimidines as inhibitors of cellular proliferation Warner-Lambert Company LLC (US) 2007-06-27 EP disclosed
US-20040044012-A1 Bicyclic pyrimidines and bicyclic 3,4-dihydropyrimidines as inhibitors of cellular proliferation DOBRUSIN ELLEN MYRA (US) 2004-03-04 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-20040044012-A1 Bicyclic pyrimidines and bicyclic 3,4-dihydropyrimidines as inhibitors of cellular proliferation CCNI, CCNH, CCNA1 PTK2 352/4885HDAC3 1399/4885HDAC1 296/4885

“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.