SCHEMBL2199050

SCHEMBL2199050

Cc1ccc(NN)cc1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 1/20 0.48
RAPGEF4 Q8WZA2 1/20 0.42
FFAR4 Q5NUL3 2/20 0.39
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HTT P42858 2/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
USP30 Q70CQ3 1/20 0.38
NOTUM Q6P988 1/20 0.36
KDR P35968 5/20 0.36
HSP90AA1 P07900 1/20 0.36
CDK8 P49336 1/20 0.36
S1PR1 P21453 2/20 0.36
MKNK2 Q9HBH9 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL20205053 0.82 TAS2R14 (0.49) TAS2R14RAPGEF4FFAR4HTTLMNA
SCHEMBL18355164 0.79 TAS2R14 (0.44) TAS2R14RAPGEF4FFAR4HTTLMNA
SCHEMBL12541880 0.79 POLB (0.54) RAPGEF4FFAR4ALDH1A1POLBTDP1
SCHEMBL12883428 0.78 TAS2R14 (0.47) TAS2R14RAPGEF4FFAR4HTTLMNA
SCHEMBL3529272 0.78 SLC22A12 (0.49) ALDH1A1POLBTDP1L3MBTL1CDK8
SCHEMBL14268240 0.77 AR (0.50) TAS2R14RAPGEF4FFAR4ALDH1A1TDP1
SCHEMBL1800248 0.77 AR (0.50) TAS2R14RAPGEF4ALDH1A1HTTLMNA
SCHEMBL13951457 0.77 KIF11 (0.50) TAS2R14ALDH1A1HTTLMNASMN1; SMN2
SCHEMBL28232084 0.77 TAS2R14 (0.52) TAS2R14ALDH1A1HTTLMNASMN1; SMN2
Hydrochloric Acid SCHEMBL18860171 0.76 SLC22A12 (0.47) ALDH1A1POLBTDP1L3MBTL1CDK8

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3313837-B1 CARBOLINE ANTIPARASITICS ZOETIS SERVICES LLC (US) 2020-09-09 EP disclosed
US-10570129-B2 Carboline antiparasitics ZOETIS SERVICES LLC (US) 2020-02-25 US disclosed
US-20200031822-A1 CARBOLINE ANTIPARASITICS ZOETIS SERVICES LLC (US) 2020-01-30 US disclosed
EP-3313837-A1 CARBOLINE ANTIPARASITICS Zoetis Services LLC (US) 2018-05-02 EP disclosed
WO-2016209635-A1 CARBOLINE ANTIPARASITICS ZOETIS SERVICES LLC (US) 2016-12-29 WO disclosed
US-7977358-B2 Pyrazol derivatives HOFFMANN-LA ROCHE INC. (US) 2011-07-12 US disclosed
CN-101765430-A Novel pyrazole derivatives HOFFMANN LA ROCHE 2010-06-30 CN disclosed
EP-2182953-A2 NEW PYRAZOL DERIVATIVES F. Hoffmann-Roche AG (CH) 2010-05-12 EP disclosed
US-20090029963-A1 PYRAZOL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-01-29 US disclosed
WO-2009013211-A2 NEW PYRAZOL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-01-29 WO disclosed
US-3947513-A FUNGICIDES BAYER AKTIENGESELLSCHAFT (DT) 1976-03-30 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-10570129-B2 Carboline antiparasitics ADRA1D, DRD1, CHRM1 TAS2R14 2350/4885RAPGEF4 3272/4885FFAR4 4146/4885
US-20090029963-A1 PYRAZOL DERIVATIVES CCR1, CCR3, CCRL2 TAS2R14 135/4885RAPGEF4 2525/4885FFAR4 511/4885
US-20200031822-A1 CARBOLINE ANTIPARASITICS DRD1, ADRA1D, DRD2 TAS2R14 2175/4885RAPGEF4 3791/4885FFAR4 4119/4885

“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.