SCHEMBL23344470

SCHEMBL23344470

Cc1nc2nc(Oc3ccccc3)cnc2cc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 9/20 0.50
▸ LMNA P02545 4/20 0.50
▸ RAB9A P51151 3/20 0.50
▸ ALDH1A1 P00352 5/20 0.47
▸ PIN1 Q13526 3/20 0.44
▸ MEN1 O00255 4/20 0.43
▸ KMT2A Q03164 4/20 0.43
▸ HPGD P15428 3/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ ATM Q13315 2/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ MAPT P10636 6/20 0.39
▸ GAA P10253 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ CYP1A2 P05177 2/20 0.38
▸ CYP2C9 P11712 2/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ L3MBTL1 Q9Y468 3/20 0.37
▸ MAPK1 P28482 1/20 0.37

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
SCHEMBL23344446 0.78 HTT (0.53) HTTLMNARAB9AALDH1A1MEN1
SCHEMBL20595255 0.76 PDGFRB (0.51) HTTLMNARAB9AALDH1A1PIN1
SCHEMBL18956900 0.74 MEN1 (0.48) HTTLMNARAB9AALDH1A1PIN1
SCHEMBL30072440 0.74 MEN1 (0.48) HTTLMNARAB9AALDH1A1PIN1
SCHEMBL20595311 0.73 ALDH1A1 (0.41) LMNARAB9AALDH1A1PIN1NPC1
SCHEMBL1414076 0.72 PIN1 (0.51) HTTLMNARAB9AALDH1A1PIN1
SCHEMBL28508986 0.72 HTT (0.64) HTTLMNARAB9AALDH1A1MEN1
SCHEMBL23344480 0.71 PIK3CA (0.64) HTTLMNARAB9AALDH1A1NPC1
SCHEMBL29674894 0.68 PIN1 (0.56) HTTLMNARAB9AALDH1A1PIN1
SCHEMBL18060764 0.68 HTT (0.40) HTTLMNARAB9AALDH1A1PIN1

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 HTT 2104/4885LMNA 2237/4885RAB9A 3953/4885
US-20210139476-A1 PYRIDOPYRAZINE COMPOUNDS AND USES THEREOF PDXK, DPYD, PNPO HTT 2104/4885LMNA 2237/4885RAB9A 3953/4885

“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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