SCHEMBL6557765

SCHEMBL6557765

Cc1cccc(C(C)C#N)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
GAA P10253 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ACHE P22303 4/20 0.44
TAAR1 Q96RJ0 1/20 0.43
ACP3 P15309 1/20 0.41
AOC3 Q16853 1/20 0.38
MAPK1 P28482 1/20 0.37
EPHX1 P07099 1/20 0.36
TRPA1 O75762 1/20 0.34
TSHR P16473 1/20 0.34
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
CYP19A1 P11511 1/20 0.34
MAPKAPK2 P49137 1/20 0.34
HPGD P15428 1/20 0.33
AR P10275 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
SCHEMBL8657217 0.81 ACHE (0.52) ALDH1A1GAAL3MBTL1ACHETAAR1
SCHEMBL14297769 0.81 ALDH1A1 (0.61) ALDH1A1GAAL3MBTL1ACHETAAR1
SCHEMBL689304 0.81 HDAC4 (0.42) ALDH1A1GAATRPA1TSHRESR1
SCHEMBL910761 0.79 ACP3 (0.44) ALDH1A1GAAL3MBTL1ACHEACP3
SCHEMBL1611419 0.79 ACHE (0.44) ALDH1A1GAAL3MBTL1ACHETAAR1
SCHEMBL11706971 0.79 ALDH1A1 (0.44) ALDH1A1GAAL3MBTL1ACHETAAR1
SCHEMBL14537937 0.78 CYP11B1 (0.33) ALDH1A1GAAL3MBTL1TSHR
SCHEMBL28376837 0.78 ALDH1A1 (0.33) ALDH1A1GAAL3MBTL1TSHR
SCHEMBL957610 0.78 IDO1 (0.41) ALDH1A1MAPK1TRPA1
SCHEMBL7554338 0.78 ESR1 (0.58) ALDH1A1GAAACHETSHRESR1

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
EP-2791137-B1 PYRAZOLOPYRIDINE DERIVATIVES, PREPARATION PROCESS THEREFOR AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2019-01-23 EP disclosed
US-20170362244-A1 PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. 2017-12-21 US disclosed
US-20170190708-A1 PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. 2017-07-06 US disclosed
EP-3012258-A1 PYRAZOLO[1,5-A]PYRIMIDINES AND -TRIAZINES AS ANTIVIRAL AGENTS Gilead Sciences, Inc. (US) 2016-04-27 EP disclosed
EP-2585467-B1 PYRAZOLO[1,5-A]PYRIMIDINES AND -TRIAZINES AS ANTIVIRAL AGENTS GILEAD SCIENCES INC (US) 2016-03-02 EP disclosed
EP-1046635-B1 Process for preparing an aromatic compound substituted by a tertiary nitrile PFIZER PROD INC (US) 2004-12-29 EP 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 (2 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-20170362244-A1 PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT TYMP, ZC3HAV1, TYMS ALDH1A1 1823/4885GAA 1676/4885L3MBTL1 4437/4885
US-20170190708-A1 PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT TYMP, ZC3HAV1, TYMS ALDH1A1 1823/4885GAA 1676/4885L3MBTL1 4437/4885

“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.