SCHEMBL14770902

SCHEMBL14770902

Cc1nc2cc(Nc3ccnc(Nc4cccc(C#N)c4)n3)ccc2[nH]1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 2/20 0.52
CDK2 P24941 2/20 0.52
SLC2A1 P11166 2/20 0.51
EPHB4 P54760 1/20 0.48
CDC7 O00311 1/20 0.46
EGFR P00533 1/20 0.46
SYK P43405 3/20 0.46
KDR P35968 2/20 0.46
JAK1 P23458 1/20 0.45
JAK3 P52333 1/20 0.45
GSK3B P49841 1/20 0.45
DYRK1A Q13627 1/20 0.45
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
ABCG2 Q9UNQ0 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
KCNH2 Q12809 1/20 0.43
AURKA O14965 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
SCHEMBL3460440 0.84 KDR (0.53) CDK4CDK2SLC2A1EPHB4CDC7
SCHEMBL14045639 0.83 EPHB4 (0.49) CDK4CDK2SLC2A1EPHB4CDC7
SCHEMBL6643597 0.78 IGF1R (0.59) CDK4CDK2SLC2A1EPHB4CDC7
SCHEMBL582624 0.78 EPHB4 (0.58) CDK4CDK2SLC2A1EPHB4CDC7
SCHEMBL14634754 0.76 CDK4 (0.60) CDK4CDK2SLC2A1EPHB4CDC7
SCHEMBL14045638 0.76 CDK4 (0.48) CDK4CDK2SLC2A1EPHB4CDC7
SCHEMBL6642791 0.74 IGF1R (0.71) CDK4CDK2EPHB4CDC7EGFR
SCHEMBL4882518 0.74 SYK (0.50) CDK2EGFRSYKKDRJAK3
SCHEMBL6979822 0.74 SYK (0.41) EGFRSYKKDRAURKA
SCHEMBL6210596 0.73 KCNH2 (0.47) SYKKDRDYRK1ACYP2C9CYP2C19

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-20130065890-A1 PYRIMIDINE DERIVATIVES HUTCHISON MEDIPHARMA ENTERPRISES LIMITED 2013-03-14 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-20130065890-A1 PYRIMIDINE DERIVATIVES TYMS, KDR, FLT4 CDK4 22/4885CDK2 16/4885SLC2A1 2231/4885

“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.