SCHEMBL25912411

SCHEMBL25912411

Cc1ccc(C(=O)NC2CC2)nc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 2/20 0.49
▸ DPP4 P27487 2/20 0.48
▸ CHRM4 P08173 1/20 0.44
▸ POLB P06746 1/20 0.43
▸ MAPK14 Q16539 3/20 0.43
▸ PRKAA2 P54646 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ PARP1 P09874 1/20 0.42
▸ PDE4B Q07343 3/20 0.41
▸ PDE4D Q08499 2/20 0.41
▸ PDE4A P27815 1/20 0.41
▸ PDE4C Q08493 1/20 0.41
▸ CNR1 P21554 1/20 0.41
▸ HSD11B1 P28845 1/20 0.41
▸ ADRA2A P08913 1/20 0.41
▸ ADRA1A P35348 1/20 0.41
▸ HRH1 P35367 1/20 0.41
▸ HTR2B P41595 1/20 0.41
▸ MCHR1 Q99705 1/20 0.41
▸ NPC1 O15118 1/20 0.41

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
SCHEMBL25698486 0.84 CHRM4 (0.49) ABL1DPP4CHRM4MAPK14ALDH1A1
SCHEMBL25912472 0.83 DPP4 (0.47) ABL1DPP4PRKAA2ALDH1A1PARP1
SCHEMBL25093457 0.81 NPC1 (0.45) ABL1DPP4PRKAA2ALDH1A1PARP1
SCHEMBL25690235 0.78 BRD4 (0.41) POLBPARP1CNR1NPC1RAB9A
SCHEMBL25236780 0.75 ALDH1A1 (0.46) DPP4CHRM4ALDH1A1CNR1HSD11B1
SCHEMBL25690421 0.75 DPP4 (0.45) DPP4CHRM4POLBALDH1A1CNR1
SCHEMBL25696647 0.75 PDE7A (0.43) ABL1DPP4CHRM4MAPK14PRKAA2
SCHEMBL25696643 0.75 PDE7A (0.43) ABL1DPP4CHRM4MAPK14PRKAA2
SCHEMBL31510149 0.75 SMYD3 (0.46) DPP4PRKAA2PARP1HSD11B1
SCHEMBL25323925 0.73 PARP1 (0.52) PRKAA2PARP1HSD11B1

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
WO-2024050370-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF 1CBIO, INC. (US) 2024-03-07 — — WO disclosed
WO-2023134647-A1 PIPERAZINO RING-CONTAINING DERIVATIVE, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 优领医药科技(香港)有限公司 2023-07-20 — — WO disclosed
US-20230128041-A1 PARP1 INHIBITORS AND USES THEREOF XINTHERA, INC. 2023-04-27 — — 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 (1 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-20230128041-A1 PARP1 INHIBITORS AND USES THEREOF PARP1, PARP11, PARP12 ABL1 1160/4885DPP4 2647/4885CHRM4 4877/4885

“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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