SCHEMBL24518

SCHEMBL24518

Cn1ccnc1Sc1ccc(Nc2nccn3nc(Nc4cccc(C(F)(F)F)c4)nc23)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GCK P35557 1/20 0.44
CTSC P53634 12/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
IGF1R P08069 1/20 0.41
MAP2K1 Q02750 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
CCR2 P41597 1/20 0.40
CCR5 P51681 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
APP P05067 1/20 0.39
CTSL P07711 1/20 0.38
EGFR P00533 1/20 0.38
ERBB2 P04626 1/20 0.38
ERBB3 P21860 1/20 0.38
ERBB4 Q15303 1/20 0.38

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
SCHEMBL15216751 0.89 IGF1R (0.44) ALDH1A1IGF1RMAP2K1TP53
SCHEMBL15216750 0.88 NPC1 (0.45) ALDH1A1IGF1RMAP2K1TP53SMN1; SMN2
SCHEMBL23678 0.86 IGF1R (0.44) IGF1RMAP2K1
SCHEMBL24060 0.83 IGF1R (0.47) IGF1RMAP2K1EGFRERBB2
SCHEMBL24767 0.83 IGF1R (0.47) IGF1RMAP2K1EGFRERBB2
SCHEMBL23696 0.82 AURKA (0.52) CTSCKDM4EALDH1A1MAPT
SCHEMBL23434 0.82 IGF1R (0.46) ALDH1A1IGF1RMAP2K1TP53
SCHEMBL15208427 0.82 GCK (0.44) GCKCTSCKDM4EALDH1A1TP53
SCHEMBL15208567 0.81 IGF1R (0.43) IGF1RMAP2K1EGFR
SCHEMBL23189 0.80 IDH2 (0.57) CTSCKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 GCK 3100/4885CTSC 1943/4885KDM4E 1552/4885

“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.