SCHEMBL24626

SCHEMBL24626

Cc1cc(C)cc(Nc2nc3c(Nc4ccc(Cl)c(Sc5nccn5C)c4)nccn3n2)c1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 3/20 0.37
MAP2K1 Q02750 9/20 0.37
KDR P35968 4/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TP53 P04637 2/20 0.36
LMNA P02545 2/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
ATM Q13315 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.34
JAK2 O60674 1/20 0.32
JAK3 P52333 1/20 0.32
PTK2 Q05397 1/20 0.32

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
SCHEMBL23678 0.93 IGF1R (0.44) IGF1RMAP2K1
SCHEMBL15216750 0.87 NPC1 (0.45) IGF1RMAP2K1NPC1RAB9ASMN1; SMN2
SCHEMBL15208567 0.86 IGF1R (0.43) IGF1RMAP2K1KDR
SCHEMBL15216751 0.84 IGF1R (0.44) IGF1RMAP2K1TP53LMNAUSP2
SCHEMBL24767 0.82 IGF1R (0.47) IGF1RMAP2K1NPC1RAB9A
SCHEMBL24060 0.82 IGF1R (0.47) IGF1RMAP2K1NPC1RAB9A
SCHEMBL23434 0.79 IGF1R (0.46) IGF1RMAP2K1TP53LMNAUSP2
SCHEMBL24518 0.79 GCK (0.44) IGF1RMAP2K1SMN1; SMN2TP53ALDH1A1
SCHEMBL20315 0.74 IGF1R (0.42) IGF1RMAP2K1TP53LMNAUSP2
SCHEMBL24444 0.73 NPC1 (0.38) IGF1RMAP2K1KDRNPC1RAB9A

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 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 IGF1R 101/4885MAP2K1 987/4885KDR 242/4885

“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.