SCHEMBL13869877

SCHEMBL13869877

COc1ccc(C(F)(F)F)c(C)n1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 9/20 0.45
PDE2A O00408 6/20 0.45
NNMT P40261 1/20 0.44
CYP11B2 P19099 1/20 0.42
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
NFE2L2 Q16236 2/20 0.38
CYP1A2 P05177 1/20 0.37
KDM4E B2RXH2 1/20 0.36
SLC22A12 Q96S37 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
SCHEMBL18268954 0.86 NNMT (0.43) PDE10APDE2ANNMTCYP11B2KMT2A
SCHEMBL11955048 0.82 NNMT (0.46) PDE10APDE2ANNMTKMT2AALDH1A1
SCHEMBL17708289 0.79 HPGD (0.38) KMT2AMEN1ALDH1A1KDM4E
SCHEMBL1862887 0.78 XPO1 (0.45) PDE10APDE2ACYP11B2KMT2AMEN1
SCHEMBL29984568 0.78 XPO1 (0.45) PDE10APDE2ACYP11B2KMT2AMEN1
SCHEMBL9278108 0.78 CYP11B2 (0.41) PDE10APDE2ANNMTCYP11B2KMT2A
SCHEMBL25163406 0.76 CYP11B2 (0.39) PDE10APDE2ACYP11B2KMT2AMEN1
SCHEMBL31180151 0.74 NNMT (0.40) PDE10APDE2ANNMTKMT2ACYP1A2
SCHEMBL1857560 0.74 CTSS (0.39) PDE10APDE2ACYP11B2KMT2AMEN1
SCHEMBL13865687 0.74 RAB9A (0.39) CYP11B2KMT2AMEN1ALDH1A1CYP1A2

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
US-9845309-B2 Protein kinase C inhibitors and methods of their use NOVARTIS AG (CH) 2017-12-19 US disclosed
US-20160347737-A1 PROTEIN KINASE C INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2016-12-01 US disclosed
US-7528151-B2 Heterocyclic urea derivatives for the treatment of pain GLAXO GROUP LIMITED (GB) 2009-05-05 US disclosed
US-20070117820-A1 Heterocyclic urea derivatives for the treatment of pain KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-05-24 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 (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-20070117820-A1 Heterocyclic urea derivatives for the treatment of pain U2SURP, UMPS, SFPQ PDE10A 124/4885PDE2A 263/4885NNMT 1853/4885
US-20160347737-A1 PROTEIN KINASE C INHIBITORS AND METHODS OF THEIR USE PRKCA, PRKCB, PRKCH PDE10A 571/4885PDE2A 523/4885NNMT 1399/4885

“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.