SCHEMBL20595313

SCHEMBL20595313

CC(=O)Nc1ccc(Nc2cnc3cc(NC(=O)Nc4cccc(C(F)(F)F)c4)c(C)nc3n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK8 P49336 1/20 0.52
▸ PIK3CA P42336 1/20 0.49
▸ MEN1 O00255 3/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ KDR P35968 4/20 0.49
▸ MAPK14 Q16539 4/20 0.49
▸ BRAF P15056 3/20 0.49
▸ TNNI3K Q59H18 2/20 0.49
▸ IDH1 O75874 1/20 0.49
▸ GRIK1 P39086 3/20 0.46
▸ MAPT P10636 2/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ MPO P05164 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ RAF1 P04049 1/20 0.45
▸ PDGFRA P16234 1/20 0.45
▸ TRPV1 Q8NER1 1/20 0.45

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
SCHEMBL20595368 0.96 MEN1 (0.50) CDK8PIK3CAMEN1KMT2AKDR
SCHEMBL23326380 0.93 PIK3CA (0.55) PIK3CAMEN1KMT2AKDRMAPK14
SCHEMBL20595312 0.90 AURKA (0.52) PIK3CAMEN1KMT2AIDH1GRIK1
SCHEMBL23326251 0.88 MEN1 (0.52) CDK8PIK3CAMEN1KMT2AKDR
SCHEMBL20595310 0.85 RAF1 (0.49) PIK3CAMEN1KMT2AKDRMAPK14
SCHEMBL23344453 0.83 PIK3CA (0.68) PIK3CAMEN1KMT2AMAPK14MAPT
SCHEMBL20595308 0.82 MEN1 (0.48) PIK3CAMEN1KMT2AKDRMAPT
SCHEMBL20595309 0.82 MEN1 (0.49) CDK8PIK3CAMEN1KMT2ABRAF
SCHEMBL23344475 0.81 PIK3CA (0.52) CDK8PIK3CAKDRBRAF
SCHEMBL23326384 0.81 BRAF (0.54) MEN1KMT2ABRAFMAPTHTT

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-11117894-B2 Pyridopyrazine compounds and uses thereof CITY OF HOPE (US) 2021-09-14 — — US disclosed
US-11117894-B2 Pyridopyrazine compounds and uses thereof CITY OF HOPE (US) 2021-09-14 — — US disclosed
US-20210139476-A1 PYRIDOPYRAZINE COMPOUNDS AND USES THEREOF NATIONAL AND KAPODISTRIAN UNIVERSITY OF ATHENS (GR) 2021-05-13 — — US disclosed
US-20210139476-A1 PYRIDOPYRAZINE COMPOUNDS AND USES THEREOF NATIONAL AND KAPODISTRIAN UNIVERSITY OF ATHENS (GR) 2021-05-13 — — US disclosed
WO-2018237190-A1 PYRIDOPYRAZINE COMPOUNDS AND USES THEREOF CITY OF HOPE (US) 2018-12-27 — — 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 (2 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-11117894-B2 Pyridopyrazine compounds and uses thereof PDXK, DPYD, PNPO CDK8 783/4885PIK3CA 1262/4885MEN1 4106/4885
US-20210139476-A1 PYRIDOPYRAZINE COMPOUNDS AND USES THEREOF PDXK, DPYD, PNPO CDK8 783/4885PIK3CA 1262/4885MEN1 4106/4885

“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.

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