SCHEMBL19974

SCHEMBL19974

Nc1nc(CCCN2CCOCC2)cn2nc(Nc3cccc(C(F)(F)F)c3)nc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.47
CTSK P43235 1/20 0.47
USP2 O75604 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
EGFR P00533 2/20 0.45
SLC6A2 P23975 1/20 0.44
HTR2A P28223 1/20 0.44
OPRK1 P41145 1/20 0.44
HTR2B P41595 1/20 0.44
SLC6A3 Q01959 1/20 0.44
PDE4D Q08499 1/20 0.44
EPHX2 P34913 1/20 0.43
JAK2 O60674 1/20 0.43
JAK3 P52333 1/20 0.43
PTK2 Q05397 1/20 0.43
LMNA P02545 1/20 0.43
TRPV4 Q9HBA0 7/20 0.43
KMT2A Q03164 1/20 0.41
MTOR P42345 1/20 0.41
SMG1 Q96Q15 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
SCHEMBL17908148 0.91 CTSK (0.46) KCNH2CTSKUSP2SMN1; SMN2EGFR
SCHEMBL18860 0.87 MAPT (0.45) SMN1; SMN2EGFRLMNAPOLBGSK3A
SCHEMBL21246 0.86 MEN1 (0.48) SMN1; SMN2LMNAKMT2APOLBGSK3A
SCHEMBL20262 0.83 MAPT (0.46) SMN1; SMN2EGFRLMNA
SCHEMBL19615 0.81 IDH2 (0.44) SMN1; SMN2LMNA
SCHEMBL19908 0.81 MAPT (0.44) KCNH2CTSKSMN1; SMN2JAK2JAK3
SCHEMBL19973 0.81 USP2 (0.47) KCNH2CTSKUSP2SMN1; SMN2EGFR
SCHEMBL19191 0.78 NOS3 (0.44) USP2EGFRJAK2JAK3PTK2
SCHEMBL15206844 0.76 TNK2 (0.41) SMN1; SMN2EGFRJAK2JAK3PTK2
SCHEMBL24502 0.76 SLC6A2 (0.51) KCNH2USP2SMN1; SMN2EGFRSLC6A2

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 KCNH2 871/4885CTSK 1864/4885USP2 2413/4885

“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.