SCHEMBL3946265

SCHEMBL3946265

Cc1ccc(C(F)(F)F)cc1[NH]

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 3/20 0.44
KIF11 P52732 4/20 0.40
CES2 O00748 2/20 0.39
NOTUM Q6P988 1/20 0.39
TAS2R14 Q9NYV8 1/20 0.38
PTPN5 P54829 1/20 0.38
RAPGEF4 Q8WZA2 1/20 0.37
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
HTR7 P34969 1/20 0.35
NFE2L2 Q16236 1/20 0.35

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
SCHEMBL1755260 0.80 PDE2A (0.46) PDE2AKIF11CES2NOTUMTAS2R14
SCHEMBL1538943 0.76 PDE2A (0.56) PDE2AKIF11CES2NOTUMPTPN5
SCHEMBL5841906 0.76 CES2 (0.57) PDE2AKIF11CES2PTPN5TSHR
SCHEMBL11157398 0.74 PDE2A (0.42) PDE2AKIF11CES2NOTUMTAS2R14
SCHEMBL1538689 0.74 CES2 (0.50) PDE2AKIF11CES2NOTUMTAS2R14
SCHEMBL1859691 0.74 PDE2A (0.50) PDE2AKIF11NOTUMTAS2R14PTPN5
SCHEMBL21131180 0.73 CYP1A2 (0.47) PDE2AKIF11NOTUMPTPN5RAPGEF4
SCHEMBL169007 0.73 PDE2A (0.53) PDE2AKIF11MAPTTSHR
SCHEMBL2267852 0.73 MTOR (0.48) PDE2AKIF11CES2NOTUMTAS2R14
SCHEMBL8985702 0.73 HSD17B2 (0.49) PDE2AKIF11TAS2R14MAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009023669-A1 SUBSTITUTED 5,6,7,8-TETRAHYDROQUINOLINE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE THEREOF JANSSEN PHARMACEUTICA N.V. (BE) 2009-02-19 WO claimed
US-20090048295-A1 SUBSTITUTED 5,6,7,8-TETRAHYDROQUINOLINE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE THEREOF JANSSEN PHARMACEUTICE N.V. (BE) 2009-02-19 US claimed
WO-2009023669-A1 SUBSTITUTED 5,6,7,8-TETRAHYDROQUINOLINE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE THEREOF JANSSEN PHARMACEUTICA N.V. (BE) 2009-02-19 WO disclosed
US-20090048295-A1 SUBSTITUTED 5,6,7,8-TETRAHYDROQUINOLINE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE THEREOF JANSSEN PHARMACEUTICE N.V. (BE) 2009-02-19 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-20090048295-A1 SUBSTITUTED 5,6,7,8-TETRAHYDROQUINOLINE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE THEREOF C3AR1, C5AR1, C5AR2 PDE2A 687/4885KIF11 4884/4885CES2 3263/4885

“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.