SCHEMBL20261

SCHEMBL20261

NCCc1cnc(N)c2nc(Nc3cccc(C(F)(F)F)c3)nn12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
AURKA O14965 3/20 0.46
BCDIN3D Q7Z5W3 1/20 0.45
MAPT P10636 3/20 0.45
LMNA P02545 1/20 0.45
IDH2 P48735 5/20 0.44
CDK1 P06493 2/20 0.44
PRKCA P17252 2/20 0.44
ZAP70 P43403 2/20 0.42
SYK P43405 2/20 0.42
CAMK1D Q8IU85 1/20 0.42
PRKCE Q02156 1/20 0.41
BTK Q06187 1/20 0.41
ITK Q08881 1/20 0.41
CTSC P53634 1/20 0.41
KIF11 P52732 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL19614 0.87 IDH2 (0.46) KDM4EAURKABCDIN3DMAPTLMNA
SCHEMBL19907 0.87 MAPT (0.46) KDM4EBCDIN3DMAPTLMNAIDH2
SCHEMBL21783 0.84 AURKA (0.43) AURKAMAPTCDK1ZAP70SYK
SCHEMBL17908147 0.84 IDH2 (0.46) KDM4EMAPTLMNAIDH2CTSC
SCHEMBL15207868 0.84 PLK1 (0.41) AURKALMNACDK1SYKBTK
SCHEMBL19973 0.83 USP2 (0.47) MAPTLMNASMN1; SMN2
SCHEMBL15208059 0.78 KDM4E (0.46) KDM4EAURKABCDIN3DMAPTLMNA
SCHEMBL15207753 0.77 SYK (0.36) ZAP70SYKRAB9ASMN1; SMN2
SCHEMBL20262 0.76 MAPT (0.46) KDM4EAURKABCDIN3DMAPTLMNA
SCHEMBL15206920 0.76 MAPT (0.47) KDM4EMAPTLMNAIDH2SYK

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 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-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 KDM4E 1552/4885AURKA 1170/4885BCDIN3D 2405/4885

“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.