SCHEMBL15670650

SCHEMBL15670650

Cc1cc(CN)ncc1OCC(F)F

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 1/20 0.35
REN P00797 1/20 0.33
CTSD P07339 1/20 0.33
BACE1 P56817 1/20 0.33
BACE2 Q9Y5Z0 1/20 0.33
AAK1 Q2M2I8 3/20 0.32
HTR2A P28223 2/20 0.32
HTR2C P28335 2/20 0.32
HTR2B P41595 2/20 0.32
MBOAT4 Q96T53 1/20 0.31
MAPT P10636 1/20 0.30
CNR2 P34972 2/20 0.30
SCN4A P35499 1/20 0.30

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
Hydrochloric Acid SCHEMBL15351004 0.98 CYP17A1 (0.34) CYP17A1RENCTSDBACE1BACE2
SCHEMBL28013047 0.85 CYP17A1 (0.36) CYP17A1RENCTSDBACE1BACE2
SCHEMBL15350852 0.84 CYP17A1 (0.35) CYP17A1RENCTSDBACE1BACE2
Hydrochloric Acid SCHEMBL15350550 0.78 AAK1 (0.36) CYP17A1RENCTSDBACE1BACE2
Hydrochloric Acid SCHEMBL15669839 0.78 MAPK1 (0.36) AAK1HTR2AHTR2CHTR2BMAPT
SCHEMBL4550754 0.77 ALDH1A1 (0.43) CYP17A1AAK1MAPTCNR2
SCHEMBL15351937 0.77 CYP17A1 (0.36) CYP17A1RENCTSDBACE1BACE2
Hydrochloric Acid SCHEMBL2713170 0.76 ALDH1A1 (0.42) CYP17A1AAK1MAPTCNR2
Hydrochloric Acid SCHEMBL15669771 0.75 AAK1 (0.38) AAK1MAPT
SCHEMBL15351086 0.75 HTR2A (0.43) AAK1HTR2AMBOAT4MAPT

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-9944634-B2 Pyrazolopyridine derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2018-04-17 US disclosed
EP-2914597-B1 PYRAZOLOPYRIDINE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC (JP) 2017-12-06 EP disclosed
EP-2841435-B1 PYRROLOPYRIDINONE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC (JP) 2017-09-06 EP disclosed
US-20150291582-A1 PYRAZOLOPYRIDINE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2015-10-15 US disclosed
EP-2914597-A1 PYRAZOLOPYRIDINE DERIVATIVES AS TTX-S BLOCKERS RaQualia Pharma Inc (JP) 2015-09-09 EP disclosed
WO-2014068988-A1 PYRAZOLOPYRIDINE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2014-05-08 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-20150291582-A1 PYRAZOLOPYRIDINE DERIVATIVES AS TTX-S BLOCKERS SCN5A, KCNH2, CACNA1G CYP17A1 4612/4885REN 435/4885CTSD 3219/4885

“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.