SCHEMBL19592

SCHEMBL19592

Cc1cc(C)cc(Nc2nc3c(-c4c[nH]c5ccccc45)nccn3n2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.48
GAA P10253 10/20 0.48
SMN1; SMN2 Q16637 10/20 0.48
TP53 P04637 7/20 0.48
THRB P10828 2/20 0.48
JAK2 O60674 1/20 0.45
JAK1 P23458 1/20 0.45
RXFP1 Q9HBX9 1/20 0.41
KDM4E B2RXH2 2/20 0.40
NPC1 O15118 2/20 0.40
ALDH1A1 P00352 1/20 0.40
PKM P14618 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
EGFR P00533 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
HTR2C P28335 1/20 0.38
HTR2B P41595 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
SCHEMBL20926 0.87 FLT3 (0.46) MAPTGAASMN1; SMN2TP53THRB
SCHEMBL20422 0.80 PIK3CA (0.40) KDRFLT3FLT1FLT4
SCHEMBL15210594 0.80 SYK (0.49) MAPTGAASMN1; SMN2TP53THRB
SCHEMBL20010 0.80 KDR (0.52) MAPTTP53JAK2KDRFLT1
SCHEMBL20465 0.76 KDR (0.43) MAPTGAATP53JAK2KDR
SCHEMBL21230 0.75 KDR (0.43) MAPTGAAJAK2KDRFLT1
SCHEMBL21554 0.75 SYK (0.44) MAPK1EGFRPIM1KDRCDK1
SCHEMBL20253 0.75 KDR (0.54) GAATP53JAK2KDM4EMAPK1
SCHEMBL140969 0.74 CCNB2 (0.64) EGFRFLT3MKNK1MKNK2CDK1
SCHEMBL15207438 0.74 JAK2 (0.47) JAK2KDM4EALDH1A1KDRFLT1

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 MAPT 4687/4885GAA 4105/4885SMN1; SMN2 4628/4885

“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.