SCHEMBL23608

SCHEMBL23608

NC1CCCCC1Nc1nccn2nc(Nc3cccc(C(F)(F)F)c3)nc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 7/20 0.57
IDH2 P48735 2/20 0.44
SYK P43405 4/20 0.43
CTSC P53634 1/20 0.43
CLK1 P49759 7/20 0.43
CLK2 P49760 7/20 0.43
CLK4 Q9HAZ1 6/20 0.43
CCNB1 P14635 3/20 0.43
CDK4 P11802 2/20 0.43
CCND3 P30281 2/20 0.43
NPC1 O15118 1/20 0.43
CCNT1 O60563 1/20 0.43
EGFR P00533 1/20 0.43
PRKCA P17252 1/20 0.43
EIF2AK2 P19525 1/20 0.43
CCNA2 P20248 1/20 0.43
CCND1 P24385 1/20 0.43
CCNE1 P24864 1/20 0.43
CDK2 P24941 1/20 0.43
MTOR P42345 1/20 0.43

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
SCHEMBL24615 0.87 SYK (0.53) CDK1SYKCLK2CLK4CDK2
SCHEMBL24474 0.86 SYK (0.47) CDK1SYKCLK1CLK2CLK4
SCHEMBL23696 0.82 AURKA (0.52) CDK1IDH2CTSCPRKCACYP1A2
SCHEMBL24327 0.80 SYK (0.56) CDK1SYKCLK1CLK2CLK4
SCHEMBL24629 0.80 IDH2 (0.57) IDH2CTSCCYP1A2CYP3A4NFKB1
SCHEMBL23189 0.80 IDH2 (0.57) IDH2CTSCCYP1A2CYP3A4NFKB1
SCHEMBL24622 0.79 IDH2 (0.47) CDK1IDH2CTSCCDK4PRKCA
SCHEMBL15207238 0.78 SYK (0.57) SYKZAP70
SCHEMBL24321 0.78 CDK1 (0.55) CDK1IDH2SYKPRKCALMNA
SCHEMBL23674 0.77 IDH2 (0.47) CDK1IDH2CTSCCDK4PRKCA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9023851-B2 Triazolopyrazine derivatives MERCK PATENT GMBH (DE) 2015-05-05 US claimed
US-20130225568-A1 TRIAZOLOPYRAZINE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-08-29 US 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-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
US-20130225568-A1 TRIAZOLOPYRAZINE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-08-29 US 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 CDK1 214/4885IDH2 1258/4885SYK 1/4885

“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.