SCHEMBL24331073

SCHEMBL24331073

Cc1cccc(C)c1-c1nc(N)nc(Cl)c1Br

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 2/20 0.41
▸ ADORA2A P29274 9/20 0.38
▸ SRC P12931 3/20 0.37
▸ ADORA1 P30542 8/20 0.37
▸ ADORA2B P29275 3/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ NR1I2 O75469 1/20 0.36
▸ AHR P35869 1/20 0.36
▸ AGPAT2 O15120 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
SCHEMBL29515534 1.00 HSP90AA1 (0.41) HSP90AA1ADORA2ASRCADORA1ADORA2B
SCHEMBL24330396 0.82 HSP90AA1 (0.42) HSP90AA1ADORA2ASRCADORA1ADORA2B
SCHEMBL29515320 0.82 HSP90AA1 (0.42) HSP90AA1ADORA2ASRCADORA1ADORA2B
SCHEMBL24331365 0.79 HSP90AA1 (0.41) HSP90AA1ADORA2ASRCADORA1ADORA2B
SCHEMBL24331124 0.77 HSP90AA1 (0.45) HSP90AA1ADORA2AADORA1
SCHEMBL29515334 0.77 HEXA (0.41) HSP90AA1ADORA2AADORA1KMT2A
SCHEMBL24331481 0.77 HEXA (0.41) HSP90AA1ADORA2AADORA1KMT2A
SCHEMBL29515175 0.77 HSP90AA1 (0.45) HSP90AA1ADORA2AADORA1
SCHEMBL10567530 0.75 ADORA2A (0.53) HSP90AA1ADORA2AADORA1ADORA2BKMT2A
SCHEMBL29541280 0.75 ADORA2A (0.53) HSP90AA1ADORA2AADORA1ADORA2BKMT2A

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 6 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
US-20230374038-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS (SAN DIEGO) LLC 2023-11-23 — — US disclosed
EP-4225761-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2023-08-16 — — EP disclosed
WO-2022076620-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 — — 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 HSP90AA1 1237/4885ADORA2A 1783/4885SRC 3367/4885

“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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