SCHEMBL10144581

SCHEMBL10144581

N#CC(C#N)=Cc1ccccc1Nc1cncc(C(F)(F)F)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 5/20 0.55
ALDH1A1 P00352 3/20 0.42
MAPT P10636 3/20 0.42
KDM4E B2RXH2 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
SLC22A6 Q4U2R8 1/20 0.39
SLC22A8 Q8TCC7 1/20 0.39
SLC22A12 Q96S37 1/20 0.39
SLC22A11 Q9NSA0 1/20 0.39
TRPA1 O75762 1/20 0.38
GAA P10253 2/20 0.36
KIF11 P52732 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RXFP1 Q9HBX9 2/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
EPHB2 P29323 1/20 0.34

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
SCHEMBL10174986 0.84 MAPT (0.53) ALDH1A1MAPTGAAKIF11RAB9A
SCHEMBL10144180 0.81 TRPA1 (0.40) TAS2R14ALDH1A1MAPTKDM4ECYP2C9
SCHEMBL10186510 0.81 TRPA1 (0.38) TAS2R14ALDH1A1MAPTKDM4ENPSR1
SCHEMBL10144178 0.69 MAPT (0.50) ALDH1A1MAPTKDM4ENPSR1CYP2C9
SCHEMBL10174974 0.69 TAS2R14 (0.52) TAS2R14ALDH1A1MAPTKDM4ENPSR1
SCHEMBL19140065 0.69 TAS2R14 (0.46) TAS2R14CYP3A4CYP2C9SLC22A6SLC22A8
SCHEMBL10144191 0.67 APP (0.43) ALDH1A1MAPTKDM4ECYP2C9TRPA1
SCHEMBL10144184 0.67 APP (0.43) ALDH1A1MAPTKDM4ECYP2C9TRPA1
SCHEMBL19139914 0.66 TAS2R14 (0.51) TAS2R14ALDH1A1MAPTCYP3A4CYP2C9
SCHEMBL3368306 0.65 TRPA1 (0.55) ALDH1A1MAPTKDM4ENPSR1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120022116-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PATHOLOGICAL CONDITION(S) RELATED TO GPR35 AND/OR GPR35-HERG COMPLEX CORNING INCORPORATED 2012-01-26 US disclosed
WO-2012012278-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PATHOLOGICAL CONDITION(S) RELATED TO GPR35 AND/OR GPR35-HERG COMPLEX CORNING INCORPORATED (US) 2012-01-26 WO disclosed
US-20120022116-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PATHOLOGICAL CONDITION(S) RELATED TO GPR35 AND/OR GPR35-HERG COMPLEX CORNING INCORPORATED 2012-01-26 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 (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-20120022116-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PATHOLOGICAL CONDITION(S) RELATED TO GPR35 AND/OR GPR35-HERG COMPLEX GPR35, GPR65, GPR68 TAS2R14 2542/4885ALDH1A1 1572/4885MAPT 3699/4885

“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.