SCHEMBL20993

SCHEMBL20993

Nc1ccc(-c2nccn3nc(Nc4ccc(OC(F)F)cc4)nc23)cn1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 1/20 0.42
SYK P43405 3/20 0.37
EIF2AK4 Q9P2K8 1/20 0.37
JAK2 O60674 6/20 0.37
JAK3 P52333 5/20 0.37
PTK2 Q05397 4/20 0.37
CD63 P08962 1/20 0.36
GSK3A P49840 2/20 0.36
GSK3B P49841 2/20 0.36
BMI1 P35226 4/20 0.35
GRM5 P41594 1/20 0.35
BCDIN3D Q7Z5W3 3/20 0.35

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
SCHEMBL20515 0.88 SYK (0.39) ROCK1SYKEIF2AK4JAK2JAK3
SCHEMBL19495 0.87 JAK2 (0.49) SYKJAK2JAK3PTK2CD63
SCHEMBL15206858 0.87 JAK2 (0.48) SYKEIF2AK4JAK2JAK3PTK2
SCHEMBL15207680 0.87 CHEK1 (0.36) ROCK1SYKEIF2AK4JAK2JAK3
SCHEMBL15207847 0.86 KCNH2 (0.47) JAK2JAK3PTK2
SCHEMBL19540 0.86 JAK2 (0.44) ROCK1SYKEIF2AK4JAK2JAK3
SCHEMBL20559 0.86 SYK (0.38) ROCK1SYKEIF2AK4JAK2JAK3
SCHEMBL19998 0.85 MAPT (0.43) SYKEIF2AK4JAK2JAK3PTK2
SCHEMBL20904 0.85 ROCK1 (0.39) ROCK1SYKEIF2AK4JAK2JAK3
SCHEMBL20159 0.83 SCN9A (0.42) SYKEIF2AK4JAK2JAK3PTK2

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
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
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 ROCK1 81/4885SYK 1/4885EIF2AK4 1898/4885

“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.