SCHEMBL16704002

SCHEMBL16704002

Cc1c(-c2cn(S(=O)(=O)c3ccccc3)c3cc(F)ccc23)cnn1C1CCNCC1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 14/20 0.52
▸ CHRNB2 P17787 3/20 0.44
▸ CHRNA4 P43681 3/20 0.44
▸ HTR2A P28223 2/20 0.41
▸ HTR7 P34969 1/20 0.41
▸ PDPK1 O15530 1/20 0.41
▸ HTT P42858 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ HTR2C P28335 1/20 0.39
▸ HTR2B P41595 1/20 0.39

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
SCHEMBL16703440 0.86 HTR6 (0.44) HTR6HTR2AHTR7PDPK1HTT
SCHEMBL17120392 0.83 HTR6 (0.49) HTR6HTR2AHTR7PDPK1MEN1
SCHEMBL16703642 0.83 HTR6 (0.52) HTR6HTR2AHTR7HTTCYP3A4
Hydrochloric Acid SCHEMBL17097132 0.83 HTR6 (0.49) HTR6HTR2AHTR7PDPK1MEN1
SCHEMBL16703404 0.82 HTR6 (0.53) HTR6CHRNB2CHRNA4CYP3A4
Hydrochloric Acid SCHEMBL16697723 0.81 HTR6 (0.52) HTR6CHRNB2CHRNA4CYP3A4
SCHEMBL16698341 0.81 HTR6 (0.45) HTR6HTR2AHTR7PDPK1CYP3A4
SCHEMBL16698273 0.76 HTR6 (0.51) HTR6HTR2APDPK1CYP3A4HTR2C
SCHEMBL16703414 0.75 HTR6 (0.49) HTR6HTR2AHTR7PDPK1
SCHEMBL17121970 0.75 HTR6 (0.49) HTR6HTR2ACYP3A4HTR2CHTR2B

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-20160263087-A1 NOVEL 4-(INDOL-3-YL)-PYRAZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE ITEOS THERAPEUTICS (BE) 2016-09-15 — — US disclosed
EP-3066090-A1 4-(INDOL-3-YL)-PYRAZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE iTeos Therapeutics (BE) 2016-09-14 — — EP disclosed
WO-2015067782-A1 4-(INDOL-3-YL)-PYRAZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE ITEOS THERAPEUTICS (BE) 2015-05-14 — — 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-20160263087-A1 NOVEL 4-(INDOL-3-YL)-PYRAZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE TDO2, IDO1, TPH1 HTR6 84/4885CHRNB2 931/4885CHRNA4 1039/4885

“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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