SCHEMBL23326331

SCHEMBL23326331

Cc1ccc(C(=O)Nc2cc3ncc(Nc4ccccc4)nc3nc2C)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 8/20 0.51
▸ RAB9A P51151 8/20 0.51
▸ KDM4E B2RXH2 2/20 0.51
▸ MITF O75030 1/20 0.51
▸ XBP1 P17861 1/20 0.51
▸ PAX8 Q06710 1/20 0.51
▸ KLF5 Q13887 1/20 0.51
▸ PIK3CA P42336 3/20 0.50
▸ MEN1 O00255 4/20 0.47
▸ KMT2A Q03164 4/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ MAPK14 Q16539 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ PDGFRB P09619 1/20 0.45
▸ PDGFRA P16234 1/20 0.45
▸ MAPK8 P45983 1/20 0.45

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 0.95 PIK3CA (0.53) NPC1RAB9AKDM4EMITFXBP1
SCHEMBL23326308 0.92 PIK3CA (0.48) NPC1RAB9AKDM4EMITFXBP1
SCHEMBL23326325 0.92 PIK3CA (0.58) NPC1RAB9AKDM4EMITFXBP1
SCHEMBL23344436 0.90 PIK3CA (0.52) NPC1RAB9AKDM4EMITFXBP1
SCHEMBL23326385 0.88 KMT2A (0.48) NPC1RAB9AMITFPIK3CAMEN1
SCHEMBL23344450 0.85 KCNQ3 (0.45) NPC1RAB9APIK3CAPDGFRBPDGFRA
SCHEMBL23344453 0.84 PIK3CA (0.68) NPC1RAB9AKDM4EPIK3CAMEN1
SCHEMBL23326201 0.84 MEN1 (0.54) PIK3CAMEN1KMT2AMAPK1PDGFRB
SCHEMBL23326384 0.83 BRAF (0.54) RAB9AMEN1KMT2AALDH1A1TP53
SCHEMBL23344465 0.81 PIK3CA (0.50) NPC1RAB9APIK3CAMEN1KMT2A

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 NPC1 3603/4885RAB9A 3953/4885KDM4E 4173/4885
US-20210139476-A1 PYRIDOPYRAZINE COMPOUNDS AND USES THEREOF PDXK, DPYD, PNPO NPC1 3603/4885RAB9A 3953/4885KDM4E 4173/4885

“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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