SCHEMBL16698232

SCHEMBL16698232

O=S(=O)(c1ccccc1)n1cc(-c2cnn(CC3CCN(CC(O)C(F)(F)F)CC3)c2)c2ccc(F)cc21

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
HTR6 P50406 9/20 0.37
KCNH2 Q12809 1/20 0.35
SLC1A3 P43003 1/20 0.35
SLC1A2 P43004 1/20 0.35
SLC1A1 P43005 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
HTR2A P28223 2/20 0.34
HTR7 P34969 2/20 0.34
PDPK1 O15530 1/20 0.33
PDK2 Q15119 2/20 0.33
DRD2 P14416 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
SCHEMBL16697661 0.88 HTR6 (0.44) HTR6KCNH2
SCHEMBL16697923 0.87 HTR6 (0.40) HTR6KCNH2CA12CA1CA2
SCHEMBL16698071 0.86 HTR6 (0.40) HTR6KCNH2CA12CA1CA2
SCHEMBL16698171 0.84 CHRM1 (0.41) KMT2AMEN1HTR6CA12CA1
SCHEMBL16703410 0.84 HTR6 (0.37) KMT2AMEN1HTR6SLC1A3SLC1A2
SCHEMBL16698306 0.83 HTR6 (0.42) HTR6KCNH2HTR2AHTR7PDPK1
SCHEMBL16697770 0.83 HTR6 (0.40) KMT2AMEN1HTR6HTR2AHTR7
SCHEMBL16697626 0.83 HTR6 (0.42) HTR6CA12CA1CA2CA9
SCHEMBL16698273 0.83 HTR6 (0.51) HTR6HTR2APDPK1
SCHEMBL16697743 0.82 HTR6 (0.39) KMT2AMEN1HTR6KCNH2SLC1A3

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 KMT2A 2859/4885MEN1 4785/4885HTR6 101/4885
US-20160263087-A1 NOVEL 4-(INDOL-3-YL)-PYRAZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE TDO2, IDO1, TPH1 KMT2A 3622/4885MEN1 4783/4885HTR6 84/4885
US-20150328228-A1 NOVEL 4-(INDOL-3-YL)-PYRAZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE TDO2, IDO1, IDO2 KMT2A 3709/4885MEN1 4765/4885HTR6 144/4885

“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.