SCHEMBL23344479

SCHEMBL23344479

Cc1nc2nc(Sc3ccccc3)cnc2cc1NC(=O)Nc1ccc(F)c([N+](=O)[O-])c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 1/20 0.71
▸ MEN1 O00255 7/20 0.52
▸ KMT2A Q03164 7/20 0.52
▸ LMNA P02545 7/20 0.52
▸ SMN1; SMN2 Q16637 5/20 0.52
▸ MAPT P10636 4/20 0.52
▸ HTT P42858 2/20 0.52
▸ TRPV1 Q8NER1 2/20 0.46
▸ NPC1 O15118 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.41
▸ ABCG2 Q9UNQ0 2/20 0.41
▸ POLB P06746 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ HCRTR1 O43613 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ APP P05067 1/20 0.39

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
SCHEMBL23344439 0.86 PIK3CA (0.76) PIK3CAMEN1KMT2ALMNASMN1; SMN2
SCHEMBL23344505 0.81 PIK3CA (0.86) PIK3CAMEN1KMT2ALMNASMN1; SMN2
SCHEMBL23344471 0.79 PIK3CA (0.79) PIK3CAMEN1KMT2AMAPTHTT
SCHEMBL23344490 0.71 PIK3CA (0.65) PIK3CAMEN1KMT2AL3MBTL1
SCHEMBL6813819 0.71 LMNA (1.00) MEN1KMT2ALMNASMN1; SMN2MAPT
SCHEMBL23326235 0.70 PIK3CA (0.54) PIK3CAMEN1KMT2ALMNASMN1; SMN2
SCHEMBL23344464 0.70 PIK3CA (0.63) PIK3CALMNAMAPTALDH1A1
SCHEMBL23344475 0.69 PIK3CA (0.52) PIK3CA
SCHEMBL9163872 0.69 MEN1 (0.50) MEN1KMT2ALMNASMN1; SMN2MAPT
SCHEMBL23344453 0.67 PIK3CA (0.68) PIK3CAMEN1KMT2ASMN1; SMN2MAPT

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 1262/4885MEN1 4106/4885KMT2A 2474/4885
US-20210139476-A1 PYRIDOPYRAZINE COMPOUNDS AND USES THEREOF PDXK, DPYD, PNPO PIK3CA 1262/4885MEN1 4106/4885KMT2A 2474/4885

“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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