SCHEMBL1976564

SCHEMBL1976564

c1ccc(-n2c3ccccc3c3cnc(Nc4ccc(N5CCNCC5)cc4)nc32)cc1

nearest known ligand 0.83

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 18/20 0.83
CDK6 Q00534 14/20 0.83
FLT3 P36888 1/20 0.53
KDM1A O60341 1/20 0.53
CCND3 P30281 4/20 0.52
CCND1 P24385 3/20 0.52
CCND2 P30279 3/20 0.52
NUAK1 O60285 1/20 0.52
FGFR1 P11362 1/20 0.52
FGFR2 P21802 1/20 0.52
FGFR4 P22455 1/20 0.52
FGFR3 P22607 1/20 0.52

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
SCHEMBL1976427 0.91 CDK4 (1.00) CDK4CDK6FLT3CCND1
SCHEMBL1975127 0.88 CDK4 (0.82) CDK4CDK6FLT3CCND1
SCHEMBL1978391 0.84 CDK4 (1.00) CDK4CDK6FLT3CCND3CCND1
SCHEMBL1976562 0.83 CDK4 (1.00) CDK4CDK6FLT3CCND3CCND1
SCHEMBL7071401 0.81 CDK4 (0.72) CDK4CDK6FLT3CCND3CCND1
SCHEMBL1978833 0.81 CDK4 (1.00) CDK4CDK6FLT3CCND3CCND1
SCHEMBL1977560 0.81 CDK4 (1.00) CDK4CDK6FLT3CCND1
SCHEMBL30878338 0.79 CDK4 (0.62) CDK4CDK6FLT3CCND3CCND1
SCHEMBL11977081 0.78 CDK4 (0.61) CDK4CDK6CCND3CCND1CCND2
SCHEMBL344502 0.78 CDK4 (0.60) CDK4CDK6FLT3KDM1ACCND3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8980903-B2 Fused pyridine, pyrimidine and triazine compounds as cell cycle inhibitors AMGEN INC. (US) 2015-03-17 US disclosed
US-20140350244-A1 FUSED PYRIDINE, PYRIMIDINE AND TRIAZINE COMPOUNDS AS CELL CYCLE INHIBITORS AMGEN INC (US) 2014-11-27 US disclosed
US-8841312-B2 Fused pyridine, pyrimidine and triazine compounds as cell cycle inhibitors AMGEN INC. (US) 2014-09-23 US disclosed
US-20110142796-A1 Fused Pyridine, Pyrimidine and Triazine Compounds as Cell Cycle Inhibitors AMGEN INC (US) 2011-06-16 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 (2 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-20140350244-A1 FUSED PYRIDINE, PYRIMIDINE AND TRIAZINE COMPOUNDS AS CELL CYCLE INHIBITORS CDK4, CDKL4, CDK2 CDK4 1/4885CDK6 4/4885FLT3 166/4885
US-20110142796-A1 Fused Pyridine, Pyrimidine and Triazine Compounds as Cell Cycle Inhibitors CDK4, CDKL4, CDK2 CDK4 1/4885CDK6 4/4885FLT3 166/4885

“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.