SCHEMBL23326251

SCHEMBL23326251

CCOC(=O)c1ccc(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
▸ MEN1 O00255 3/20 0.52
▸ KMT2A Q03164 3/20 0.52
▸ NPC1 O15118 2/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ CASP3 P42574 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ SENP7 Q9BQF6 1/20 0.52
▸ MAPT P10636 2/20 0.46
▸ BRAF P15056 6/20 0.46
▸ PIK3CA P42336 2/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ MAPK8 P45983 1/20 0.45
▸ MAPK9 P45984 1/20 0.45
▸ MAPK10 P53779 1/20 0.45
▸ TRPV1 Q8NER1 1/20 0.45
▸ KDR P35968 7/20 0.44
▸ MAPK14 Q16539 6/20 0.44
▸ TNNI3K Q59H18 6/20 0.44
▸ SLC2A1 P11166 1/20 0.43

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
SCHEMBL20595312 0.90 AURKA (0.52) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL23326380 0.89 PIK3CA (0.55) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL20595313 0.88 CDK8 (0.52) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL20595368 0.85 MEN1 (0.50) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL23326195 0.85 MEN1 (0.51) MEN1KMT2ANPC1ALDH1A1CASP3
SCHEMBL20595310 0.83 RAF1 (0.49) MEN1KMT2ANPC1SMN1; SMN2MAPT
SCHEMBL23326384 0.80 BRAF (0.54) MEN1KMT2AALDH1A1RAB9AMAPT
SCHEMBL23344475 0.78 PIK3CA (0.52) BRAFPIK3CAMAPK8MAPK9MAPK10
SCHEMBL23344453 0.78 PIK3CA (0.68) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL23344503 0.77 GSK3A (0.56) MEN1KMT2ANPC1RAB9AMAPT

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 4 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

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 MEN1 4106/4885KMT2A 2474/4885NPC1 3603/4885
US-20210139476-A1 PYRIDOPYRAZINE COMPOUNDS AND USES THEREOF PDXK, DPYD, PNPO MEN1 4106/4885KMT2A 2474/4885NPC1 3603/4885

“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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