SCHEMBL24180

SCHEMBL24180

COCCCNc1nccn2nc(Nc3cccc(C)c3)nc12

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 8/20 0.44
JAK2 O60674 7/20 0.44
KCNH3 Q9ULD8 1/20 0.42
KDM4E B2RXH2 3/20 0.42
POLB P06746 2/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.41
FLT1 P17948 1/20 0.40
FLT4 P35916 1/20 0.40
KDR P35968 1/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HPGD P15428 1/20 0.39
ADORA2A P29274 1/20 0.39
SYK P43405 1/20 0.38
MAPT P10636 1/20 0.38
JAK3 P52333 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
SCHEMBL24500 0.90 JAK2 (0.38) PTK2JAK2KCNH3KDM4EALDH1A1
SCHEMBL23499 0.89 KCNH3 (0.55) PTK2JAK2KCNH3LMNAADORA2A
SCHEMBL15207316 0.87 KDM4E (0.44) PTK2JAK2KDM4EALDH1A1GAA
SCHEMBL24685 0.86 EGFR (0.44) PTK2JAK2KDM4EPOLBALDH1A1
SCHEMBL23569 0.86 ZAP70 (0.48) PTK2JAK2FLT1FLT4KDR
SCHEMBL24033 0.83 EGFR (0.51) PTK2JAK2KDRJAK3
SCHEMBL23275 0.83 ZAP70 (0.44) PTK2JAK2KCNH3FLT1FLT4
SCHEMBL23085 0.82 EGFR (0.53) PTK2JAK2KDM4EPOLBALDH1A1
SCHEMBL23494 0.76 SYK (0.44) PTK2JAK2KDM4EALDH1A1GAA
SCHEMBL21018 0.75 NFKB1 (0.51) PTK2JAK2POLBFLT1FLT4

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
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 PTK2 367/4885JAK2 5/4885KCNH3 1428/4885

“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.