SCHEMBL16698341

SCHEMBL16698341

Cc1c(-c2cn(S(=O)(=O)c3ccccc3)c3cc(F)ccc23)cnn1C

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 14/20 0.45
▸ HTR2A P28223 3/20 0.43
▸ HTR7 P34969 3/20 0.43
▸ PDPK1 O15530 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ CREBBP Q92793 1/20 0.41
▸ DRD2 P14416 3/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ HTR1A P08908 1/20 0.40
▸ PTGDR Q13258 1/20 0.40
▸ PTGDR2 Q9Y5Y4 1/20 0.40
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA9 Q16790 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
SCHEMBL16698105 0.81 PDPK1 (0.54) HTR6HTR2AHTR7PDPK1L3MBTL1
SCHEMBL16990424 0.81 HTR6 (0.51) HTR6HTR2AHTR7PDPK1L3MBTL1
SCHEMBL16698358 0.81 HTR6 (0.46) HTR6HTR2AHTR7PDPK1L3MBTL1
SCHEMBL16990440 0.81 HTR6 (0.47) HTR6HTR2AHTR7PDPK1L3MBTL1
SCHEMBL16704002 0.81 HTR6 (0.52) HTR6HTR2AHTR7PDPK1CYP3A4
SCHEMBL16703414 0.80 HTR6 (0.49) HTR6HTR2AHTR7PDPK1L3MBTL1
SCHEMBL16990259 0.79 HTR6 (0.50) HTR6HTR2AHTR7PDPK1L3MBTL1
SCHEMBL18045682 0.78 HTR6 (0.47) HTR6HTR2AHTR7PDPK1L3MBTL1
SCHEMBL16990292 0.78 HTR6 (0.50) HTR6HTR2AHTR7PDPK1L3MBTL1
SCHEMBL16703440 0.78 HTR6 (0.44) HTR6HTR2AHTR7PDPK1PTGDR2

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-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
US-20150328228-A1 NOVEL 4-(INDOL-3-YL)-PYRAZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE ITEOS THERAPEUTICS (BE) 2015-11-19 — — US disclosed
US-9126984-B2 4-(indol-3-yl)-pyrazole derivatives, pharmaceutical compositions and methods for use ITEOS THERAPEUTICS SA (BE) 2015-09-08 — — US disclosed
WO-2015067782-A1 4-(INDOL-3-YL)-PYRAZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE ITEOS THERAPEUTICS (BE) 2015-05-14 — — WO disclosed
US-20150133422-A1 NOVEL 4-(INDOL-3-YL)-PYRAZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE ITEOS THERAPEUTICS SA (BE) 2015-05-14 — — 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 (3 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-20150133422-A1 NOVEL 4-(INDOL-3-YL)-PYRAZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE TDO2, IDO1, IDO2 HTR6 101/4885HTR2A 79/4885HTR7 96/4885
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
US-20150328228-A1 NOVEL 4-(INDOL-3-YL)-PYRAZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE TDO2, IDO1, IDO2 HTR6 144/4885HTR2A 128/4885HTR7 81/4885

“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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