SCHEMBL3713601

SCHEMBL3713601

Cc1cccc(-c2nc(OCCc3c[nH]c4ccccc34)cc(-c3cccnc3)n2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 1/20 0.49
CCND1 P24385 1/20 0.49
GBA1 P04062 1/20 0.47
CYP2A6 P11509 1/20 0.44
CLK4 Q9HAZ1 4/20 0.42
USP2 O75604 3/20 0.42
CYP1A2 P05177 3/20 0.42
CYP3A4 P08684 3/20 0.42
CYP2D6 P10635 3/20 0.42
CYP2C19 P33261 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP2C9 P11712 2/20 0.42
HSD17B10 Q99714 2/20 0.42
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
GSK3B P49841 1/20 0.42
NEK4 P51957 1/20 0.42
CSNK2A1 P68400 1/20 0.42

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
SCHEMBL3714461 0.89 CDK4 (0.52) CDK4CCND1GBA1CYP2A6CLK4
SCHEMBL2240068 0.82 CDK4 (0.55) CDK4CCND1GBA1CYP2A6CLK4
SCHEMBL2238361 0.74 PTGDR (0.49) CDK4CCND1GBA1CYP2A6CLK4
SCHEMBL3716388 0.73 CDK4 (0.53) CDK4CCND1GBA1CYP2A6CLK4
SCHEMBL2237571 0.72 SPR (0.57) CDK4CCND1GBA1CLK4USP2
SCHEMBL3962080 0.72 CDK4 (0.58) CDK4CCND1GBA1CLK4USP2
SCHEMBL2240699 0.71 CYP3A4 (0.44) CDK4CCND1GBA1CYP2A6CLK4
SCHEMBL2238648 0.71 CYP2A6 (0.46) CDK4CCND1CYP2A6CLK4USP2
SCHEMBL4771731 0.71 GBA1 (0.54) CDK4CCND1GBA1CYP2A6CLK4
SCHEMBL4775877 0.71 CYP3A4 (0.56) CDK4CCND1GBA1CYP2A6CLK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2231642-B1 PYRIMIDINES AS KINASE INHIBITORS NOVARTIS AG (CH) 2013-10-23 EP claimed
US-8431578-B2 Organic compounds NOVARTIS AG (CH) 2013-04-30 US claimed
US-20100298337-A1 Organic Compounds NOVARTIS AG (CH) 2010-11-25 US claimed
EP-2231642-A1 PYRIMIDINES AS KINASE INHIBITORS Novartis AG (CH) 2010-09-29 EP claimed
WO-2009087224-A1 PYRIMIDINES AS KINASE INHIBITORS NOVARTIS AG (CH) 2009-07-16 WO claimed
EP-2231642-B1 PYRIMIDINES AS KINASE INHIBITORS NOVARTIS AG (CH) 2013-10-23 EP disclosed
US-8431578-B2 Organic compounds NOVARTIS AG (CH) 2013-04-30 US disclosed
US-8431578-B2 Organic compounds NOVARTIS AG (CH) 2013-04-30 US disclosed
US-8431578-B2 Organic compounds NOVARTIS AG (CH) 2013-04-30 US disclosed
US-20100298337-A1 Organic Compounds NOVARTIS AG (CH) 2010-11-25 US disclosed
US-20100298337-A1 Organic Compounds NOVARTIS AG (CH) 2010-11-25 US disclosed
US-20100298337-A1 Organic Compounds NOVARTIS AG (CH) 2010-11-25 US disclosed
EP-2231642-A1 PYRIMIDINES AS KINASE INHIBITORS Novartis AG (CH) 2010-09-29 EP disclosed
WO-2009087224-A1 PYRIMIDINES AS KINASE INHIBITORS NOVARTIS AG (CH) 2009-07-16 WO disclosed
WO-2009087224-A1 PYRIMIDINES AS KINASE INHIBITORS NOVARTIS AG (CH) 2009-07-16 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 (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-20100298337-A1 Organic Compounds CYP11B2, TNNT2, CPT1B CDK4 1274/4885CCND1 658/4885GBA1 3851/4885

“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.