SCHEMBL15207013

SCHEMBL15207013

COc1ccc(-c2nccn3nc(Nc4cc(C)cc(C)c4)nc23)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.47
JAK2 O60674 14/20 0.45
JAK3 P52333 9/20 0.45
PTK2 Q05397 7/20 0.45
ALDH1A1 P00352 3/20 0.43
GAA P10253 3/20 0.43
MAPT P10636 3/20 0.43
KDM4E B2RXH2 2/20 0.43
GFER P55789 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
LMNA P02545 2/20 0.42
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
TUBA1B P68363 1/20 0.41
TUBA4A P68366 1/20 0.41
TUBB4B P68371 1/20 0.41
TUBB3 Q13509 1/20 0.41
TUBB2A Q13885 1/20 0.41
TUBB8 Q3ZCM7 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
SCHEMBL19086 0.91 JAK2 (0.47) JAK2JAK3PTK2ALDH1A1GAA
SCHEMBL19281 0.90 KDR (0.41) BRD4JAK2JAK3PTK2
SCHEMBL20465 0.90 KDR (0.43) BRD4JAK2JAK3PTK2GAA
SCHEMBL15207207 0.89 FLT1 (0.45) JAK2JAK3PTK2ALDH1A1GAA
SCHEMBL20280 0.86 GAA (0.42) BRD4JAK2JAK3PTK2GAA
SCHEMBL20010 0.86 KDR (0.52) JAK2JAK3MAPTLMNA
SCHEMBL19799 0.83 JAK2 (0.43) JAK2JAK3PTK2LMNAMEN1
SCHEMBL19738 0.83 KDR (0.53) JAK2JAK3PTK2ALDH1A1LMNA
SCHEMBL21584 0.82 FLT1 (0.44) JAK2JAK3PTK2
SCHEMBL21099 0.82 PTK2 (0.46) JAK2JAK3PTK2MAPTLMNA

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 BRD4 949/4885JAK2 5/4885JAK3 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.