SCHEMBL24310425

SCHEMBL24310425

CCc1c(Oc2cccc(N3CCN(C)CC3)c2Cl)nc(NSc2cn[nH]c2)nc1-c1ccccc1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 2/20 0.35
▸ DRD3 P35462 2/20 0.35
▸ HTR1A P08908 1/20 0.35
▸ DRD4 P21917 1/20 0.35
▸ HTR2A P28223 1/20 0.35
▸ HTR2C P28335 1/20 0.35
▸ HTR6 P50406 2/20 0.32
▸ BRD4 O60885 1/20 0.32
▸ BRPF1 P55201 1/20 0.32
▸ BRD9 Q9H8M2 1/20 0.32
▸ IGF1R P08069 1/20 0.31
▸ PAK1 Q13153 3/20 0.31
▸ EGFR P00533 1/20 0.31
▸ CSF1R P07333 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ TNK2 Q07912 2/20 0.30
▸ KDM5A P29375 1/20 0.30
▸ CDK2 P24941 1/20 0.30
▸ PRKCZ Q05513 1/20 0.30
▸ MAP3K7 O43318 1/20 0.30

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
SCHEMBL24310089 0.90 DRD2 (0.35) DRD2DRD3HTR1ADRD4HTR2A
SCHEMBL24309910 0.86 HTR6 (0.33) DRD2DRD3HTR1ADRD4HTR2A
SCHEMBL24309854 0.85 DRD2 (0.36) DRD2DRD3HTR1ADRD4HTR2A
SCHEMBL24309321 0.81 ALDH1A1 (0.36) IGF1RCDK2
SCHEMBL24310049 0.81 PAK1 (0.36) DRD2DRD3HTR1ADRD4HTR2A
SCHEMBL24310709 0.81 DRD2 (0.33) DRD2DRD3HTR1ADRD4HTR2A
SCHEMBL24309479 0.80 HTR1A (0.33) DRD2DRD3HTR1ADRD4HTR2A
SCHEMBL24309536 0.80 BRPF1 (0.34) DRD2DRD3HTR1ADRD4HTR2A
SCHEMBL24310065 0.80 DRD2 (0.37) DRD2DRD3HTR1ADRD4HTR2A
SCHEMBL24310712 0.79 AXL (0.33) DRD2DRD3HTR1ADRD4HTR2A

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-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 — — US disclosed
WO-2022076627-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 — — WO 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-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B DRD2 4505/4885DRD3 4541/4885HTR1A 4018/4885

“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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