SCHEMBL1977474

SCHEMBL1977474

c1cnc2c(c1)c1cnc(Nc3ccc(N4CCNCC4)cc3)nc1n2C1CCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 20/20 1.00
CDK6 Q00534 8/20 1.00
CCND1 P24385 13/20 0.67
CCND2 P30279 11/20 0.67
CCND3 P30281 11/20 0.67
FGFR1 P11362 4/20 0.66
FGFR2 P21802 4/20 0.66
FGFR4 P22455 4/20 0.66
FGFR3 P22607 4/20 0.66
NUAK1 O60285 1/20 0.66
CCNA2 P20248 6/20 0.64
CDK2 P24941 6/20 0.64
CCNE2 O96020 5/20 0.64
CCNE1 P24864 5/20 0.64
CCNA1 P78396 5/20 0.64
CDK1 P06493 4/20 0.64
CCNB1 P14635 4/20 0.64
CCNB2 O95067 3/20 0.64
CCNB3 Q8WWL7 3/20 0.64
FLT3 P36888 1/20 0.63

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
SCHEMBL1976330 0.89 CDK4 (1.00) CDK4CDK6CCND1CDK1CCNB1
SCHEMBL1978391 0.88 CDK4 (1.00) CDK4CDK6CCND1CCND2CCND3
SCHEMBL1976562 0.87 CDK4 (1.00) CDK4CDK6CCND1CCND2CCND3
SCHEMBL1977846 0.85 CDK4 (1.00) CDK4CDK6CCND1CCND2CCND3
SCHEMBL4520642 0.81 CDK4 (0.77) CDK4CDK6CCND1CCND2CCND3
SCHEMBL17322466 0.80 CDK4 (1.00) CDK4CDK6CCND1CCND2CCND3
SCHEMBL1978833 0.80 CDK4 (1.00) CDK4CDK6CCND1CCND2CCND3
SCHEMBL6944231 0.80 CDK4 (1.00) CDK4CCND1CCND2CCND3FGFR1
SCHEMBL3974659 0.79 CDK4 (0.81) CDK4CDK6CCND1CCND2CCND3
SCHEMBL7071397 0.79 CDK4 (0.98) CDK4CCND1CCND2CCND3FGFR1

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 13 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-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-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-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
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 4/4885CCND1 22/4885
US-20110142796-A1 Fused Pyridine, Pyrimidine and Triazine Compounds as Cell Cycle Inhibitors CDK4, CDKL4, CDK2 CDK4 1/4885CDK6 4/4885CCND1 22/4885

“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.