SCHEMBL23344437

SCHEMBL23344437

COc1cc(Nc2cnc3cc(NC(=O)Nc4ccc(F)c(Cl)c4)c(C)nc3n2)cc(OC)c1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 3/20 0.47
▸ MAPK8 P45983 1/20 0.47
▸ MAPK9 P45984 1/20 0.47
▸ MAPK10 P53779 1/20 0.47
▸ KDR P35968 4/20 0.47
▸ RAB9A P51151 4/20 0.45
▸ NPC1 O15118 3/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ HTT P42858 2/20 0.45
▸ MAPT P10636 2/20 0.45
▸ MAPK1 P28482 2/20 0.44
▸ BRAF P15056 2/20 0.44
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ EGFR P00533 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ CASP3 P42574 1/20 0.42
▸ SENP7 Q9BQF6 1/20 0.42
▸ MALT1 Q9UDY8 2/20 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
SCHEMBL23326235 0.86 PIK3CA (0.54) PIK3CAMAPK8MAPK9MAPK10KDR
SCHEMBL20595308 0.85 MEN1 (0.48) PIK3CAMAPK8MAPK9MAPK10KDR
SCHEMBL20595298 0.84 PIK3CA (0.46) PIK3CAMAPK8MAPK9MAPK10KDR
SCHEMBL20595309 0.83 MEN1 (0.49) PIK3CAMAPK8MAPK9MAPK10RAB9A
SCHEMBL20595310 0.83 RAF1 (0.49) PIK3CAKDRNPC1SMN1; SMN2HTT
SCHEMBL23326195 0.83 MEN1 (0.51) PIK3CAMAPK8MAPK9MAPK10RAB9A
SCHEMBL23344463 0.77 MEN1 (0.55) KDRRAB9ANPC1SMN1; SMN2HTT
SCHEMBL23344473 0.75 MEN1 (0.41) PIK3CAKDRRAB9ANPC1SMN1; SMN2
SCHEMBL23326201 0.74 MEN1 (0.54) PIK3CASMN1; SMN2MAPTMAPK1BRAF
SCHEMBL23344475 0.74 PIK3CA (0.52) PIK3CAMAPK8MAPK9MAPK10KDR

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 1262/4885MAPK8 2337/4885MAPK9 4163/4885
US-20210139476-A1 PYRIDOPYRAZINE COMPOUNDS AND USES THEREOF PDXK, DPYD, PNPO PIK3CA 1262/4885MAPK8 2337/4885MAPK9 4163/4885

“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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