SCHEMBL23344436

SCHEMBL23344436

CSc1ccc(C(=O)Nc2cc3ncc(Nc4ccccc4)nc3nc2C)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 8/20 0.52
▸ NPC1 O15118 3/20 0.42
▸ RAB9A P51151 3/20 0.42
▸ PDGFRB P09619 2/20 0.42
▸ PDGFRA P16234 2/20 0.42
▸ MAPK8 P45983 4/20 0.42
▸ MAPK9 P45984 4/20 0.42
▸ MAPK10 P53779 4/20 0.42
▸ PPARG P37231 1/20 0.42
▸ PPARD Q03181 1/20 0.42
▸ PPARA Q07869 1/20 0.42
▸ NR1H4 Q96RI1 1/20 0.42
▸ MAPK1 P28482 4/20 0.40
▸ MAPK14 Q16539 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ MITF O75030 1/20 0.40
▸ XBP1 P17861 1/20 0.40
▸ PAX8 Q06710 1/20 0.40
▸ KLF5 Q13887 1/20 0.40
▸ MEN1 O00255 3/20 0.40

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 0.91 PIK3CA (0.53) PIK3CANPC1RAB9APDGFRBPDGFRA
SCHEMBL23326331 0.90 NPC1 (0.51) PIK3CANPC1RAB9APDGFRBPDGFRA
SCHEMBL23326232 0.88 PIK3CA (0.64) PIK3CANPC1RAB9APDGFRBPDGFRA
SCHEMBL23326308 0.88 PIK3CA (0.48) PIK3CANPC1RAB9APDGFRBPDGFRA
SCHEMBL23326325 0.88 PIK3CA (0.58) PIK3CANPC1RAB9APDGFRBPDGFRA
SCHEMBL23326385 0.85 KMT2A (0.48) PIK3CANPC1RAB9AMITFMEN1
SCHEMBL23344450 0.82 KCNQ3 (0.45) PIK3CANPC1RAB9APDGFRBPDGFRA
SCHEMBL23344453 0.81 PIK3CA (0.68) PIK3CANPC1RAB9APDGFRBPDGFRA
SCHEMBL23326201 0.81 MEN1 (0.54) PIK3CAPDGFRBPDGFRAMAPK1MEN1
SCHEMBL23326384 0.80 BRAF (0.54) RAB9AMEN1KMT2AALDH1A1MAPT

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 1262/4885NPC1 3603/4885RAB9A 3953/4885
US-20210139476-A1 PYRIDOPYRAZINE COMPOUNDS AND USES THEREOF PDXK, DPYD, PNPO PIK3CA 1262/4885NPC1 3603/4885RAB9A 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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