SCHEMBL24331187

SCHEMBL24331187

Cc1cccc(C2CC2)c1-c1nc(N)nc(Cl)c1C

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 3/20 0.39
▸ HTR2C P28335 4/20 0.38
▸ HSP90AA1 P07900 1/20 0.38
▸ KMT2A Q03164 1/20 0.34
▸ RORC P51449 2/20 0.33
▸ DRD4 P21917 1/20 0.33
▸ DRD3 P35462 1/20 0.33
▸ HRH2 P25021 2/20 0.33
▸ HRH3 Q9Y5N1 2/20 0.33
▸ GRIA1 P42261 1/20 0.33
▸ CACNG8 Q8WXS5 1/20 0.33
▸ ADORA2A P29274 1/20 0.33
▸ PDK2 Q15119 1/20 0.32
▸ PDK4 Q16654 1/20 0.32

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
SCHEMBL29515271 1.00 PDE10A (0.39) PDE10AHTR2CHSP90AA1KMT2ARORC
SCHEMBL29515320 0.83 HSP90AA1 (0.42) HSP90AA1KMT2AADORA2A
SCHEMBL24330396 0.83 HSP90AA1 (0.42) HSP90AA1KMT2AADORA2A
SCHEMBL30588677 0.76 PDE9A (0.36) HRH2HRH3ADORA2A
SCHEMBL26125484 0.76 PDE9A (0.36) HRH2HRH3ADORA2A
SCHEMBL24331186 0.75 CNR2 (0.35) RORC
SCHEMBL29515519 0.75 CNR2 (0.35) RORC
SCHEMBL24330522 0.74 LMNA (0.39) HSP90AA1KMT2AADORA2A
SCHEMBL29515400 0.74 LMNA (0.39) HSP90AA1KMT2AADORA2A
SCHEMBL24331210 0.73 PARP14 (0.36) ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230374038-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS (SAN DIEGO) LLC 2023-11-23 — — US disclosed
US-20230374038-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS (SAN DIEGO) LLC 2023-11-23 — — US disclosed
WO-2023196429-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-10-12 — — WO disclosed
WO-2022076620-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-20230374038-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B PDE10A 295/4885HTR2C 4356/4885HSP90AA1 1237/4885

“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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