SCHEMBL23499

SCHEMBL23499

COCCCNc1nccn2nc(Nc3ccccc3)nc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH3 Q9ULD8 4/20 0.55
JAK2 O60674 7/20 0.47
JAK3 P52333 2/20 0.47
PTK2 Q05397 5/20 0.42
CDK4 P11802 1/20 0.41
CCND1 P24385 1/20 0.41
CCND2 P30279 1/20 0.41
CCND3 P30281 1/20 0.41
CYP1A2 P05177 2/20 0.41
CLK4 Q9HAZ1 2/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
SHMT2 P34897 1/20 0.40
TLR7 Q9NYK1 1/20 0.40
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA2B P29275 1/20 0.39

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
SCHEMBL24180 0.89 PTK2 (0.44) KCNH3JAK2JAK3PTK2LMNA
SCHEMBL24500 0.86 JAK2 (0.38) KCNH3JAK2JAK3PTK2LMNA
SCHEMBL15207316 0.85 KDM4E (0.44) JAK2JAK3PTK2LMNAMAPK1
SCHEMBL23275 0.85 ZAP70 (0.44) KCNH3JAK2JAK3PTK2SHMT2
SCHEMBL23403 0.85 TNK2 (0.44) JAK2JAK3PTK2MAPK1
SCHEMBL25084 0.83 JAK2 (0.44) JAK2JAK3PTK2
SCHEMBL24602 0.81 RAD52 (0.46) JAK2JAK3PTK2
SCHEMBL23505 0.79 KMT2A (0.53) JAK2JAK3PTK2LMNAMAPK1
SCHEMBL24685 0.74 EGFR (0.44) JAK2JAK3PTK2MAPTADORA2A
SCHEMBL20561 0.74 ZAP70 (0.54) JAK2PTK2

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
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
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 KCNH3 1428/4885JAK2 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.