SCHEMBL12558564

SCHEMBL12558564

O[C@@H]1CCC[C@@H]1n1c2cnccc2c2cnc(Nc3ccc(N4CCNCC4)cn3)nc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 20/20 1.00
CDK6 Q00534 8/20 1.00
CDK1 P06493 3/20 0.79
CCNB1 P14635 3/20 0.79
CCND1 P24385 3/20 0.79
FLT3 P36888 3/20 0.79
CYP3A4 P08684 1/20 0.79

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
SCHEMBL12558645 1.00 CDK4 (1.00) CDK4CDK6CDK1CCNB1CCND1
SCHEMBL12595062 0.93 CDK4 (0.87) CDK4CDK6CDK1CCNB1CCND1
SCHEMBL12595065 0.91 CDK4 (0.84) CDK4CDK6CDK1CCNB1CCND1
SCHEMBL12558559 0.90 CDK4 (1.00) CDK4CDK6
SCHEMBL12558656 0.90 CDK4 (1.00) CDK4CDK6
SCHEMBL1980191 0.90 CDK4 (1.00) CDK4CDK6CDK1CCNB1CCND1
SCHEMBL12558655 0.89 CDK4 (1.00) CDK4CDK6
SCHEMBL12558586 0.89 CDK4 (1.00) CDK4CDK6
SCHEMBL12558653 0.89 CDK4 (1.00) CDK4CDK6
SCHEMBL12558563 0.89 CDK4 (1.00) CDK4CDK6

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 9 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-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-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-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
US-20110142796-A1 Fused Pyridine, Pyrimidine and Triazine Compounds as Cell Cycle Inhibitors AMGEN INC (US) 2011-06-16 US disclosed
WO-2009085185-A1 FUSED PYRIDINE, PYRIMIDINE AND TRIAZINE COMPOUNDS AS CELL CYCLE INHIBITORS AMGEN INC. (US) 2009-07-09 WO 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.