SCHEMBL20318

SCHEMBL20318

Cc1cccc(Nc2nc3c(-c4ccc(N5CCOCC5)cc4)nccn3n2)c1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.59
GAA P10253 6/20 0.59
ALDH1A1 P00352 2/20 0.59
JAK2 O60674 10/20 0.53
JAK3 P52333 10/20 0.53
PTK2 Q05397 8/20 0.53
TP53 P04637 2/20 0.53
POLB P06746 1/20 0.53
CDK1 P06493 1/20 0.51
CDK2 P24941 1/20 0.51
SMG1 Q96Q15 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.47
RXFP1 Q9HBX9 1/20 0.47
CHEK1 O14757 1/20 0.46
HPGD P15428 1/20 0.46
KDM4E B2RXH2 1/20 0.46
CYP3A4 P08684 1/20 0.46
EGFR P00533 1/20 0.46
MERTK Q12866 1/20 0.45

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
SCHEMBL20593 0.91 JAK2 (0.52) MAPTGAAALDH1A1JAK2JAK3
SCHEMBL19568 0.86 MTOR (0.53) MAPTGAAALDH1A1JAK2JAK3
SCHEMBL20400 0.84 FLT1 (0.54) MAPTGAAJAK2JAK3PTK2
SCHEMBL20626 0.83 JAK2 (0.59) JAK2JAK3PTK2
SCHEMBL15221148 0.82 JAK2 (0.54) JAK2JAK3PTK2CYP3A4
SCHEMBL21597 0.81 JAK2 (0.59) JAK2JAK3PTK2
SCHEMBL20543 0.81 JAK2 (0.60) JAK2JAK3PTK2
SCHEMBL16394348 0.80 JAK2 (0.63) JAK2JAK3PTK2
SCHEMBL15212865 0.80 JAK3 (0.73) JAK2JAK3PTK2CYP3A4
SCHEMBL20513 0.80 JAK2 (0.55) MAPTJAK2JAK3PTK2TP53

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 10 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-A1 TRIAZOLOPYRAZINE DERIVATIVES Merck Patent GmbH (DE) 2013-07-03 EP claimed
WO-2012025186-A1 TRIAZOLOPYRAZINE DERIVATIVES MERCK PATENT GMBH (DE) 2012-03-01 WO claimed
EP-2609098-B1 TRIAZOLOPYRAZINE DERIVATIVES MERCK PATENT GMBH (DE) 2016-07-13 EP disclosed
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 MAPT 4687/4885GAA 4105/4885ALDH1A1 1497/4885

“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.