SCHEMBL20422

SCHEMBL20422

Cc1cc(C)cc(Nc2nc3c(-c4cccc5[nH]ncc45)nccn3n2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 12/20 0.40
PIK3CD O00329 5/20 0.40
PIK3CB P42338 5/20 0.40
PIK3CG P48736 5/20 0.40
AURKA O14965 1/20 0.39
ROCK2 O75116 1/20 0.39
ERBB2 P04626 1/20 0.39
CSF1R P07333 1/20 0.39
FLT1 P17948 1/20 0.39
RPS6KB1 P23443 1/20 0.39
TYK2 P29597 1/20 0.39
AKT1 P31749 1/20 0.39
FLT4 P35916 1/20 0.39
KDR P35968 1/20 0.39
FLT3 P36888 1/20 0.39
RPS6KA3 P51812 1/20 0.39
STK3 Q13188 1/20 0.39
ROCK1 Q13464 1/20 0.39
ERBB4 Q15303 1/20 0.39
AURKB Q96GD4 1/20 0.39

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
SCHEMBL20402 0.88 PIK3CA (0.45) PIK3CAKDRBRAF
SCHEMBL21554 0.81 SYK (0.44) PIK3CAPIK3CDPIK3CBPIK3CGROCK2
SCHEMBL19592 0.80 MAPT (0.48) FLT1FLT4KDRFLT3
SCHEMBL15210520 0.80 SYK (0.50) PIK3CAKDREPHB4BRAFPTK6
SCHEMBL15210628 0.79 SYK (0.45) PIK3CAEPHB4PTK6
SCHEMBL20010 0.76 KDR (0.52) FLT1FLT4KDR
SCHEMBL21230 0.76 KDR (0.43) FLT1FLT4KDR
SCHEMBL20253 0.75 KDR (0.54) AURKAFLT1FLT4KDR
SCHEMBL20465 0.74 KDR (0.43) FLT1FLT4KDR
SCHEMBL15207438 0.74 JAK2 (0.47) FLT1FLT4KDRAURKBPTK6

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 7 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
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 PIK3CA 647/4885PIK3CD 494/4885PIK3CB 538/4885

“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.