SCHEMBL18045682

SCHEMBL18045682

Cc1n[nH]cc1-c1cn(S(=O)(=O)c2ccccc2)c2cc(F)ccc12

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 17/20 0.47
▸ HTR2A P28223 6/20 0.45
▸ HTR7 P34969 4/20 0.45
▸ DRD2 P14416 4/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ CA12 O43570 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ PDPK1 O15530 1/20 0.41
▸ HTR1A P08908 1/20 0.40

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
SCHEMBL16990440 0.83 HTR6 (0.47) HTR6HTR2AHTR7DRD2L3MBTL1
SCHEMBL16703434 0.82 HTR6 (0.48) HTR6HTR2AHTR7DRD2L3MBTL1
SCHEMBL16698358 0.81 HTR6 (0.46) HTR6HTR2AHTR7DRD2L3MBTL1
SCHEMBL16703414 0.80 HTR6 (0.49) HTR6HTR2AHTR7DRD2L3MBTL1
SCHEMBL16990424 0.79 HTR6 (0.51) HTR6HTR2AHTR7DRD2L3MBTL1
SCHEMBL16697491 0.79 HTR6 (0.50) HTR6HTR2AHTR7DRD2L3MBTL1
SCHEMBL16698341 0.78 HTR6 (0.45) HTR6HTR2AHTR7DRD2L3MBTL1
SCHEMBL16990259 0.77 HTR6 (0.50) HTR6HTR2AHTR7DRD2L3MBTL1
SCHEMBL16990292 0.76 HTR6 (0.50) HTR6HTR2AHTR7DRD2L3MBTL1
SCHEMBL16703642 0.76 HTR6 (0.52) HTR6HTR2AHTR7DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160263087-A1 NOVEL 4-(INDOL-3-YL)-PYRAZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE ITEOS THERAPEUTICS (BE) 2016-09-15 — — 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-20160263087-A1 NOVEL 4-(INDOL-3-YL)-PYRAZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE TDO2, IDO1, TPH1 HTR6 84/4885HTR2A 94/4885HTR7 39/4885

“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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