SCHEMBL31462

SCHEMBL31462

CCOc1ccc(Nc2nc3c(-c4ccc(OC)nc4)nccn3n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 12/20 0.49
PTK2 Q05397 8/20 0.49
JAK3 P52333 8/20 0.49
SYK P43405 2/20 0.41
KDM4E B2RXH2 1/20 0.40
NFKB1 P19838 1/20 0.40
KDR P35968 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4D Q08499 1/20 0.39
JAK1 P23458 1/20 0.38
TRIM24 O15164 1/20 0.38
TRIM33 Q9UPN9 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
SCHEMBL21119 0.92 JAK2 (0.52) JAK2PTK2JAK3KDM4ETRIM24
SCHEMBL15207187 0.87 SYK (0.41) JAK2PTK2JAK3SYKKDM4E
SCHEMBL19998 0.87 MAPT (0.43) JAK2PTK2JAK3SYKKDM4E
SCHEMBL30618 0.87 JAK2 (0.52) JAK2PTK2JAK3SYK
SCHEMBL15206858 0.87 JAK2 (0.48) JAK2PTK2JAK3SYKKDM4E
SCHEMBL15206945 0.87 JAK2 (0.48) JAK2PTK2JAK3
SCHEMBL20913 0.86 JAK2 (0.51) JAK2PTK2JAK3SYK
SCHEMBL19607 0.85 SYK (0.40) JAK2PTK2JAK3SYKKDM4E
SCHEMBL15206837 0.85 SYK (0.42) JAK2PTK2JAK3SYKKDM4E
SCHEMBL19605 0.85 NPC1 (0.52) JAK2PTK2JAK3SYKKDM4E

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-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
US-20130225568-A1 TRIAZOLOPYRAZINE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-08-29 US 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 JAK2 5/4885PTK2 367/4885JAK3 32/4885

“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.