Sugi Predict

Sugi Predict / Compounds / SCHEMBL16698273

SCHEMBL16698273

SCHEMBL16698273

O=S(=O)(c1ccccc1)n1cc(-c2cnn(CC3CCNCC3)c2)c2ccc(F)cc21

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 17/20 0.51
▸ PIM1 P11309 1/20 0.41
▸ DRD3 P35462 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ HTR2C P28335 1/20 0.39
▸ HTR2B P41595 1/20 0.39
▸ PDPK1 O15530 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
SCHEMBL16698399 0.91 HTR6 (0.46) HTR6CYP3A4HTR2AHTR2CHTR2B
SCHEMBL16697692 0.91 HTR6 (0.46) HTR6PIM1DRD3CYP3A4HTR2A
SCHEMBL16697626 0.90 HTR6 (0.42) HTR6HTR2APDPK1
SCHEMBL16698171 0.89 CHRM1 (0.41) HTR6HTR2APDPK1
SCHEMBL16698071 0.88 HTR6 (0.40) HTR6CYP3A4HTR2AHTR2CPDPK1
SCHEMBL16697770 0.88 HTR6 (0.40) HTR6HTR2APDPK1
SCHEMBL16697923 0.86 HTR6 (0.40) HTR6HTR2AHTR2CPDPK1
SCHEMBL16697661 0.86 HTR6 (0.44) HTR6
SCHEMBL16698306 0.86 HTR6 (0.42) HTR6HTR2APDPK1
SCHEMBL16703404 0.85 HTR6 (0.53) HTR6CYP3A4

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 101/4885PIM1 961/4885DRD3 537/4885
US-20160263087-A1 NOVEL 4-(INDOL-3-YL)-PYRAZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE TDO2, IDO1, TPH1 HTR6 84/4885PIM1 1682/4885DRD3 445/4885
US-20150328228-A1 NOVEL 4-(INDOL-3-YL)-PYRAZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE TDO2, IDO1, IDO2 HTR6 144/4885PIM1 1305/4885DRD3 598/4885

“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.