SCHEMBL19371

SCHEMBL19371

Nc1ncc(C2CCCCC2N)n2nc(Nc3ccccc3)nc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 8/20 0.41
CCND1 P24385 8/20 0.41
CCND2 P30279 4/20 0.41
CCND3 P30281 4/20 0.41
CDK2 P24941 4/20 0.41
CCNA2 P20248 2/20 0.41
FGFR1 P11362 1/20 0.41
FGFR2 P21802 1/20 0.41
FGFR4 P22455 1/20 0.41
FGFR3 P22607 1/20 0.41
SRC P12931 1/20 0.38
PDGFRA P16234 1/20 0.38
FLT3 P36888 1/20 0.38
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
CLK4 Q9HAZ1 2/20 0.37
USP2 O75604 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
ADORA3 P0DMS8 2/20 0.37

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
SCHEMBL20130 0.88 SYK (0.45) CDK2CCNA2FGFR1SRCPDGFRA
SCHEMBL15207702 0.86 SYK (0.41) CDK2FGFR1SRCPDGFRAFLT3
SCHEMBL15207925 0.85 CDK1 (0.49) CDK1PRKDC
SCHEMBL21195 0.83 SYK (0.42) FLT3SYKCDK1
SCHEMBL19372 0.76 JAK2 (0.38) CDK4CCND1CCND2CCND3CDK2
SCHEMBL15207868 0.71 PLK1 (0.41) CDK4CCND1CCND2CCND3CDK2
SCHEMBL24474 0.67 SYK (0.47) CDK4CCND3CLK4SYKCDK1
SCHEMBL19497 0.66 TNK2 (0.46) CDK4CCND1CCND2CCND3CDK2
SCHEMBL20643 0.66 KCNH3 (0.46) CDK4CCND1CCND2CCND3CYP1A2
SCHEMBL15206842 0.65 TNK2 (0.47) CDK4FGFR1SRCFLT3MAPK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2609098-B1 TRIAZOLOPYRAZINE DERIVATIVES MERCK PATENT GMBH (DE) 2016-07-13 EP claimed
EP-2609098-B1 TRIAZOLOPYRAZINE DERIVATIVES MERCK PATENT GMBH (DE) 2016-07-13 EP disclosed
US-9023851-B2 Triazolopyrazine derivatives MERCK PATENT GMBH (DE) 2015-05-05 US disclosed
US-20130225568-A1 TRIAZOLOPYRAZINE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-08-29 US disclosed
EP-2609098-A1 TRIAZOLOPYRAZINE DERIVATIVES Merck Patent GmbH (DE) 2013-07-03 EP disclosed
WO-2012025186-A1 TRIAZOLOPYRAZINE DERIVATIVES MERCK PATENT GMBH (DE) 2012-03-01 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-20130225568-A1 TRIAZOLOPYRAZINE DERIVATIVES SYK, IRAK1, ZAP70 CDK4 1132/4885CCND1 679/4885CCND2 804/4885

“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.