SCHEMBL24321

SCHEMBL24321

NCCNc1nccn2nc(Nc3cccc(C(F)(F)F)c3)nc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 2/20 0.55
PRKCA P17252 2/20 0.55
BCDIN3D Q7Z5W3 3/20 0.53
SYK P43405 4/20 0.50
ZAP70 P43403 3/20 0.50
CAMK1D Q8IU85 1/20 0.50
PRKCE Q02156 1/20 0.49
BTK Q06187 1/20 0.49
ITK Q08881 1/20 0.49
AURKA O14965 2/20 0.45
KDM4E B2RXH2 1/20 0.44
IDH2 P48735 3/20 0.44
JAK2 O60674 2/20 0.43
PTK2 Q05397 2/20 0.43
FLT1 P17948 1/20 0.43
FLT4 P35916 1/20 0.43
KDR P35968 1/20 0.43
JAK3 P52333 1/20 0.43
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL23696 0.87 AURKA (0.52) CDK1PRKCAAURKAKDM4EIDH2
SCHEMBL15207316 0.86 KDM4E (0.44) CDK1PRKCABCDIN3DSYKAURKA
SCHEMBL15207975 0.86 SYK (0.46) CDK1PRKCABCDIN3DSYKAURKA
SCHEMBL23569 0.85 ZAP70 (0.48) CDK1PRKCABCDIN3DSYKZAP70
SCHEMBL23189 0.84 IDH2 (0.57) AURKAKDM4EIDH2JAK2PTK2
SCHEMBL24629 0.84 IDH2 (0.57) AURKAKDM4EIDH2JAK2PTK2
SCHEMBL25084 0.84 JAK2 (0.44) CDK1PRKCABCDIN3DSYKZAP70
SCHEMBL24074 0.83 JAK2 (0.48) IDH2JAK2PTK2KDRJAK3
SCHEMBL24502 0.82 SLC6A2 (0.51) JAK2PTK2JAK3LMNAMAPT
SCHEMBL23674 0.82 IDH2 (0.47) CDK1PRKCABCDIN3DAURKAIDH2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9023851-B2 Triazolopyrazine derivatives MERCK PATENT GMBH (DE) 2015-05-05 US claimed
US-20130225568-A1 TRIAZOLOPYRAZINE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-08-29 US claimed
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 CDK1 214/4885PRKCA 758/4885BCDIN3D 2405/4885

“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.