SCHEMBL1975127

SCHEMBL1975127

c1ccc(-n2c3ccccc3c3cnc(Nc4ccc(N5CCNCC5)cn4)nc32)cc1

nearest known ligand 0.82

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 20/20 0.82
CDK6 Q00534 19/20 0.82
CDK1 P06493 2/20 0.61
CCNB1 P14635 2/20 0.61
CCND1 P24385 2/20 0.61
FLT3 P36888 2/20 0.61
CYP3A4 P08684 1/20 0.61

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
SCHEMBL1977560 0.91 CDK4 (1.00) CDK4CDK6CDK1CCNB1CCND1
SCHEMBL1976564 0.88 CDK4 (0.83) CDK4CDK6CCND1FLT3
SCHEMBL1980197 0.85 CDK4 (1.00) CDK4CDK6CDK1CCNB1CCND1
SCHEMBL1975125 0.84 CDK4 (1.00) CDK4CDK6CDK1CCNB1CCND1
SCHEMBL1976627 0.84 CDK4 (1.00) CDK4CDK6CDK1CCNB1CCND1
SCHEMBL12556774 0.82 CDK4 (1.00) CDK4CDK6CDK1CCNB1CCND1
SCHEMBL6223804 0.81 CDK4 (0.73) CDK4CDK6CDK1CCNB1CCND1
SCHEMBL1978009 0.81 CDK4 (1.00) CDK4CDK6CDK1CCNB1CCND1
SCHEMBL4830895 0.80 CDK4 (0.70) CDK4CDK6CCND1
SCHEMBL12556777 0.80 CDK4 (1.00) CDK4CDK6CDK1CCNB1CCND1

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 4/4885CDK1 12/4885
US-20110142796-A1 Fused Pyridine, Pyrimidine and Triazine Compounds as Cell Cycle Inhibitors CDK4, CDKL4, CDK2 CDK4 1/4885CDK6 4/4885CDK1 12/4885

“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.