SCHEMBL23344465

SCHEMBL23344465

Cc1nc2nc(Nc3ccccc3)cnc2cc1NC(=O)CNc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 12/20 0.50
▸ ADORA3 P0DMS8 2/20 0.47
▸ ADORA1 P30542 2/20 0.47
▸ PDGFRB P09619 3/20 0.45
▸ PDGFRA P16234 3/20 0.45
▸ MAPK8 P45983 7/20 0.45
▸ MAPK9 P45984 7/20 0.45
▸ MAPK10 P53779 7/20 0.45
▸ OPRK1 P41145 1/20 0.44
▸ MAPK1 P28482 4/20 0.43
▸ MAPK14 Q16539 2/20 0.43
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ CASP3 P42574 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ SENP7 Q9BQF6 1/20 0.40

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
SCHEMBL23344506 0.88 PIK3CA (0.49) PIK3CAPDGFRBPDGFRAMAPK8MAPK9
SCHEMBL23344453 0.84 PIK3CA (0.68) PIK3CAPDGFRBPDGFRAMAPK8MAPK9
SCHEMBL23344447 0.84 KDM4E (0.46) PIK3CAPDGFRBPDGFRAMAPK8MAPK9
SCHEMBL23326225 0.84 PIK3CA (0.53) PIK3CAADORA3ADORA1PDGFRBPDGFRA
SCHEMBL23344491 0.81 MEN1 (0.49) PIK3CAADORA1RAB9AMEN1ALDH1A1
SCHEMBL23326331 0.81 NPC1 (0.51) PIK3CAPDGFRBPDGFRAMAPK8MAPK9
SCHEMBL23326325 0.79 PIK3CA (0.58) PIK3CAPDGFRBPDGFRAMAPK8MAPK9
SCHEMBL23326308 0.79 PIK3CA (0.48) PIK3CAPDGFRBPDGFRAMAPK8MAPK9
SCHEMBL23326267 0.78 PIK3CA (0.56) PIK3CAPDGFRBPDGFRAMAPK8MAPK9
SCHEMBL23326230 0.75 PDGFRB (0.57) PIK3CAPDGFRBPDGFRAMAPK8MAPK9

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 1262/4885ADORA3 1881/4885ADORA1 2853/4885
US-20210139476-A1 PYRIDOPYRAZINE COMPOUNDS AND USES THEREOF PDXK, DPYD, PNPO PIK3CA 1262/4885ADORA3 1881/4885ADORA1 2853/4885

“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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