SCHEMBL30323804

SCHEMBL30323804

COc1c(F)ccnc1N

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NOS3 P29474 5/20 0.39
▸ NOS2 P35228 5/20 0.39
▸ NOS1 P29475 2/20 0.39
▸ FYN P06241 3/20 0.36
▸ MAOA P21397 1/20 0.35
▸ ALOX5AP P20292 3/20 0.35
▸ FEN1 P39748 3/20 0.35
▸ DYRK1A Q13627 1/20 0.34
▸ CCR1 P32246 1/20 0.33
▸ CCR5 P51681 1/20 0.33
▸ CCR8 P51685 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ USP7 Q93009 1/20 0.33
▸ PRKACA P17612 1/20 0.33
▸ PRKACG P22612 1/20 0.33
▸ PRKACB P22694 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ PDE5A O76074 1/20 0.33

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
SCHEMBL15467137 1.00 NOS3 (0.39) NOS3NOS2NOS1FYNMAOA
SCHEMBL31602251 0.78 NOS2 (0.42) NOS3NOS2NOS1FYNMAOA
SCHEMBL3556163 0.77 NOS2 (0.56) NOS3NOS2NOS1FYNMAOA
SCHEMBL22235384 0.77 NOS3 (0.41) NOS3NOS2NOS1FYNDYRK1A
SCHEMBL22235846 0.75 DYRK1A (0.41) NOS3NOS2NOS1FYNMAOA
SCHEMBL21855909 0.75 NOS2 (0.39) NOS3NOS2NOS1FYNMAOA
SCHEMBL3711280 0.75 ALOX5AP (0.41) NOS3NOS2NOS1FYNMAOA
SCHEMBL31395266 0.75 DYRK1A (0.41) NOS3NOS2NOS1FYNMAOA
SCHEMBL31067778 0.75 NOS2 (0.39) NOS3NOS2NOS1FYNMAOA
SCHEMBL28163267 0.75 NOS2 (0.39) NOS3NOS2NOS1FYNMAOA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12215105-B2 HPK1 antagonists and uses thereof Nimbus Saturn, Inc. (US) 2025-02-04 — — US disclosed
US-20240025898-A1 HPK1 ANTAGONISTS AND USES THEREOF SCHRÖDINGER, INC. 2024-01-25 — — US disclosed
US-11548890-B1 HPK1 antagonists and uses thereof Nimbus Saturn, Inc. (US) 2023-01-10 — — 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 (3 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-11548890-B1 HPK1 antagonists and uses thereof PDXK, HIPK1, PCK1 NOS3 3973/4885NOS2 4416/4885NOS1 4452/4885
US-20240025898-A1 HPK1 ANTAGONISTS AND USES THEREOF PDXK, HIPK1, PCK1 NOS3 3973/4885NOS2 4416/4885NOS1 4452/4885
US-12215105-B2 HPK1 antagonists and uses thereof PDXK, HIPK1, PCK1 NOS3 3973/4885NOS2 4416/4885NOS1 4452/4885

“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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