SCHEMBL23326385

SCHEMBL23326385

Cc1nc2nc(Nc3ccccc3)cnc2cc1NC(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.48
▸ MEN1 O00255 5/20 0.48
▸ MAPT P10636 5/20 0.48
▸ ABCG2 Q9UNQ0 2/20 0.46
▸ ABCB1 P08183 1/20 0.46
▸ ABCC1 P33527 1/20 0.46
▸ PIK3CA P42336 1/20 0.46
▸ ACHE P22303 1/20 0.45
▸ CYP11B1 P15538 1/20 0.44
▸ CYP11B2 P19099 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ NPC1 O15118 3/20 0.44
▸ RAB9A P51151 3/20 0.44
▸ LMNA P02545 1/20 0.44
▸ ERO1A Q96HE7 1/20 0.44
▸ MITF O75030 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ KDR P35968 1/20 0.44

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
SCHEMBL23326225 0.89 PIK3CA (0.53) KMT2AMEN1MAPTPIK3CAALDH1A1
SCHEMBL23326331 0.88 NPC1 (0.51) KMT2AMEN1MAPTPIK3CAACHE
SCHEMBL23326308 0.86 PIK3CA (0.48) KMT2AMEN1MAPTPIK3CAALDH1A1
SCHEMBL23326325 0.86 PIK3CA (0.58) KMT2AMEN1MAPTPIK3CAALDH1A1
SCHEMBL23344436 0.85 PIK3CA (0.52) KMT2AMEN1MAPTPIK3CAALDH1A1
SCHEMBL23344450 0.80 KCNQ3 (0.45) PIK3CANPC1RAB9A
SCHEMBL23344469 0.80 HTT (0.53) KMT2AMEN1MAPTACHEALDH1A1
SCHEMBL23344453 0.80 PIK3CA (0.68) KMT2AMEN1MAPTPIK3CANPC1
SCHEMBL23326201 0.79 MEN1 (0.54) KMT2AMEN1MAPTPIK3CALMNA
SCHEMBL23326384 0.79 BRAF (0.54) KMT2AMEN1MAPTALDH1A1RAB9A

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 KMT2A 2474/4885MEN1 4106/4885MAPT 2937/4885
US-20210139476-A1 PYRIDOPYRAZINE COMPOUNDS AND USES THEREOF PDXK, DPYD, PNPO KMT2A 2474/4885MEN1 4106/4885MAPT 2937/4885

“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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