SCHEMBL15206858

SCHEMBL15206858

COc1ccc(-c2nccn3nc(Nc4ccc(OC(F)F)cc4)nc23)cn1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 14/20 0.48
PTK2 Q05397 9/20 0.48
JAK3 P52333 9/20 0.48
KDM4E B2RXH2 2/20 0.44
NPC1 O15118 1/20 0.40
SYK P43405 1/20 0.38
EIF2AK4 Q9P2K8 1/20 0.38
TRIM24 O15164 1/20 0.37
TRIM33 Q9UPN9 1/20 0.37
PIK3CA P42336 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37

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 0.90 JAK2 (0.52) JAK2PTK2JAK3KDM4ETRIM24
SCHEMBL15206945 0.87 JAK2 (0.48) JAK2PTK2JAK3
SCHEMBL20515 0.87 SYK (0.39) JAK2PTK2JAK3SYKEIF2AK4
SCHEMBL31462 0.87 JAK2 (0.49) JAK2PTK2JAK3KDM4ESYK
SCHEMBL20993 0.87 ROCK1 (0.42) JAK2PTK2JAK3SYKEIF2AK4
SCHEMBL20559 0.86 SYK (0.38) JAK2PTK2JAK3SYKEIF2AK4
SCHEMBL30618 0.85 JAK2 (0.52) JAK2PTK2JAK3SYKEIF2AK4
SCHEMBL15207680 0.85 CHEK1 (0.36) JAK2PTK2JAK3SYKEIF2AK4
SCHEMBL19540 0.84 JAK2 (0.44) JAK2PTK2JAK3SYKEIF2AK4
SCHEMBL20556 0.83 JAK2 (0.50) JAK2PTK2JAK3SYKEIF2AK4

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 5 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

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.