SCHEMBL23344471

SCHEMBL23344471

Cc1nc2nc(Sc3ccccc3)cnc2cc1NC(=O)Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.79

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 1/20 0.79
▸ GRIK1 P39086 7/20 0.50
▸ MEN1 O00255 3/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ MAPT P10636 2/20 0.49
▸ HTT P42858 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ CDK8 P49336 1/20 0.48
▸ KDR P35968 4/20 0.46
▸ TRPV1 Q8NER1 1/20 0.46
▸ NPC1 O15118 1/20 0.45
▸ BRAF P15056 3/20 0.45
▸ MAPK14 Q16539 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
SCHEMBL23344464 0.86 PIK3CA (0.63) PIK3CAMAPTBRAF
SCHEMBL23326380 0.84 PIK3CA (0.55) PIK3CAGRIK1MEN1KMT2AMAPT
SCHEMBL23344505 0.82 PIK3CA (0.86) PIK3CAMEN1KMT2AMAPTHTT
SCHEMBL23344439 0.82 PIK3CA (0.76) PIK3CAMEN1KMT2AMAPTHTT
SCHEMBL23344503 0.81 GSK3A (0.56) GRIK1MEN1KMT2AMAPTHTT
SCHEMBL23344479 0.79 PIK3CA (0.71) PIK3CAMEN1KMT2AMAPTHTT
SCHEMBL20595312 0.79 AURKA (0.52) PIK3CAGRIK1MEN1KMT2AMAPT
SCHEMBL23344490 0.79 PIK3CA (0.65) PIK3CAMEN1KMT2A
SCHEMBL20595368 0.79 MEN1 (0.50) PIK3CAGRIK1MEN1KMT2AMAPT
SCHEMBL20595313 0.78 CDK8 (0.52) PIK3CAGRIK1MEN1KMT2AMAPT

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 2 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-20210139476-A1 PYRIDOPYRAZINE COMPOUNDS AND USES THEREOF NATIONAL AND KAPODISTRIAN UNIVERSITY OF ATHENS (GR) 2021-05-13 — — 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 (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 PIK3CA 1262/4885GRIK1 1709/4885MEN1 4106/4885
US-20210139476-A1 PYRIDOPYRAZINE COMPOUNDS AND USES THEREOF PDXK, DPYD, PNPO PIK3CA 1262/4885GRIK1 1709/4885MEN1 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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