SCHEMBL24309394

SCHEMBL24309394

Cc1cccc(C)c1-c1cc(Oc2ccc(NC3CCCC3)nc2)nc(NS(=O)(=O)c2cnn(C)c2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 2/20 0.40
▸ CCNA2 P20248 1/20 0.40
▸ HTR1A P08908 4/20 0.36
▸ HTR7 P34969 4/20 0.36
▸ PTGS1 P23219 1/20 0.36
▸ PTGS2 P35354 1/20 0.36
▸ MAP4K1 Q92918 7/20 0.35
▸ CCR6 P51684 1/20 0.35
▸ AXL P30530 1/20 0.34
▸ MERTK Q12866 1/20 0.34
▸ MAP2K7 O14733 1/20 0.34
▸ JAK1 P23458 1/20 0.34
▸ PIK3CD O00329 1/20 0.34
▸ PIK3CB P42338 1/20 0.34
▸ MTOR P42345 1/20 0.34
▸ PIK3CG P48736 1/20 0.34
▸ CCNE1 P24864 1/20 0.34
▸ CSF1R P07333 1/20 0.34
▸ MET P08581 1/20 0.34
▸ KDR P35968 1/20 0.34

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
SCHEMBL29566987 1.00 CDK2 (0.40) CDK2CCNA2HTR1AHTR7PTGS1
SCHEMBL26814483 0.99 CDK2 (0.39) CDK2CCNA2HTR1AHTR7PTGS1
SCHEMBL26806489 0.94 CCNA2 (0.42) CDK2CCNA2HTR1AHTR7MAP4K1
SCHEMBL26814726 0.91 CCNA2 (0.40) CDK2CCNA2HTR1AHTR7MAP4K1
SCHEMBL26814643 0.90 MKNK1 (0.37) CDK2CCNA2HTR1AHTR7MAP4K1
SCHEMBL26814821 0.90 CCNA2 (0.36) CDK2CCNA2HTR1AHTR7MAP4K1
SCHEMBL26857014 0.89 PTGS2 (0.37) HTR1AHTR7PTGS1PTGS2AXL
SCHEMBL26814536 0.89 PIK3CD (0.36) HTR1AHTR7MAP4K1JAK1PIK3CD
SCHEMBL26814500 0.88 HTR1A (0.36) HTR1AHTR7MAP4K1PIK3CDPIK3CB
SCHEMBL26814517 0.86 SMN1; SMN2 (0.38) HTR1AHTR7MAP4K1PIK3CDPIK3CB

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-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 — — US disclosed
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 CDK2 4552/4885CCNA2 4686/4885HTR1A 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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