SCHEMBL26808930

SCHEMBL26808930

Cc1ccccc1-c1nc(NS(=O)(=O)c2cnn(C)c2)nc(Oc2cccc(N3CCN(C)CC3)c2)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 1/20 0.41
▸ HTR2A P28223 1/20 0.41
▸ HTR2C P28335 1/20 0.41
▸ HTR7 P34969 1/20 0.41
▸ DRD3 P35462 1/20 0.41
▸ HTR6 P50406 1/20 0.41
▸ GUSB P08236 1/20 0.39
▸ RAD52 P43351 2/20 0.39
▸ EGFR P00533 12/20 0.39
▸ NUAK1 O60285 2/20 0.39
▸ NUAK2 Q9H093 2/20 0.39
▸ JAK2 O60674 2/20 0.38
▸ BLK P51451 2/20 0.38
▸ BMX P51813 2/20 0.38
▸ JAK3 P52333 2/20 0.38
▸ CTSC P53634 3/20 0.38
▸ BRD4 O60885 2/20 0.37
▸ PLK4 O00444 1/20 0.37
▸ GAK O14976 1/20 0.37
▸ FLT3 P36888 1/20 0.37

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
SCHEMBL29567464 1.00 HTR1A (0.41) HTR1AHTR2AHTR2CHTR7DRD3
SCHEMBL24309381 0.92 HTR7 (0.42) HTR1AHTR2AHTR2CHTR7DRD3
SCHEMBL29567219 0.92 HTR7 (0.42) HTR1AHTR2AHTR2CHTR7DRD3
SCHEMBL24310422 0.92 PDE2A (0.40) RAD52EGFRJAK2BLKBMX
SCHEMBL29567000 0.92 PDE2A (0.40) RAD52EGFRJAK2BLKBMX
SCHEMBL26808712 0.91 HTR7 (0.41) HTR1AHTR2AHTR2CHTR7DRD3
SCHEMBL24310431 0.91 HTR2C (0.41) HTR1AHTR2AHTR2CHTR7DRD3
SCHEMBL29566298 0.91 HTR2C (0.41) HTR1AHTR2AHTR2CHTR7DRD3
SCHEMBL26811481 0.90 HTR2C (0.40) HTR1AHTR2AHTR2CHTR7DRD3
SCHEMBL24310151 0.89 HTR1A (0.40) HTR1AHTR2AHTR2CHTR7DRD3

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
US-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 — — 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-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B HTR1A 4018/4885HTR2A 3630/4885HTR2C 4185/4885

“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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