SCHEMBL15208115

SCHEMBL15208115

Clc1ccc(Nc2nc3c(-c4cncnc4)nccn3n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.46
JAK2 O60674 6/20 0.42
JAK3 P52333 6/20 0.42
PTK2 Q05397 5/20 0.42
BRAF P15056 2/20 0.41
SYK P43405 1/20 0.40
EIF2AK4 Q9P2K8 1/20 0.40
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38
TUBB4B P68371 1/20 0.38
TUBB3 Q13509 1/20 0.38
TUBB2A Q13885 1/20 0.38
TUBB8 Q3ZCM7 1/20 0.38
TUBA3E Q6PEY2 1/20 0.38
TUBA1A Q71U36 1/20 0.38
TUBA1C Q9BQE3 1/20 0.38
TUBB6 Q9BUF5 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
SCHEMBL30008 0.89 AURKA (0.55) AURKAJAK2JAK3PTK2BRAF
SCHEMBL20004 0.85 JAK2 (0.52) AURKAJAK2JAK3PTK2TUBB4A
SCHEMBL15207957 0.85 JAK2 (0.42) JAK2JAK3PTK2SYKEIF2AK4
SCHEMBL20334 0.83 SYK (0.44) AURKAJAK2JAK3PTK2SYK
SCHEMBL15207273 0.83 AURKA (0.40) AURKAJAK2JAK3PTK2BRAF
SCHEMBL20159 0.83 SCN9A (0.42) AURKAJAK2JAK3PTK2BRAF
SCHEMBL19843 0.83 SYK (0.40) AURKAJAK2JAK3PTK2BRAF
SCHEMBL15207000 0.82 ABL1 (0.42) JAK2JAK3PTK2SCN9A
SCHEMBL20904 0.82 ROCK1 (0.39) AURKAJAK2JAK3PTK2SYK
SCHEMBL19811 0.82 EPHB4 (0.46) SYKEIF2AK4MAPTGAATP53

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 AURKA 1170/4885JAK2 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.