SCHEMBL12078460

SCHEMBL12078460

[2H]C1([2H])CNC(=O)c2ccc(O)cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 9/20 0.44
PARP11 Q9NR21 7/20 0.44
MAOA P21397 2/20 0.42
MAOB P27338 2/20 0.42
PRKCI P41743 1/20 0.42
PARP1 P09874 4/20 0.41
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
PDPK1 O15530 1/20 0.41
GRM5 P41594 3/20 0.40
F7 P08709 1/20 0.40
F3 P13726 1/20 0.40
ACHE P22303 1/20 0.40
ESR1 P03372 1/20 0.38
UGT1A1 P22309 1/20 0.38
ESR2 Q92731 1/20 0.38
NTRK1 P04629 1/20 0.38
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
CCNA1 P78396 1/20 0.38

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
SCHEMBL1417646 0.82 PARP10 (0.64) PARP10PARP11MAOAMAOBPRKCI
SCHEMBL5258588 0.79 MAOA (0.59) PARP10PARP11MAOAMAOBPRKCI
SCHEMBL618639 0.78 CA12 (0.53) MAOAMAOBPRKCIPARP1GRM5
SCHEMBL12077584 0.76 RYR2 (0.51) PARP10PARP11GRM5TDP2
SCHEMBL29438680 0.71 PARP10 (0.69) PARP10PARP11PARP1DRD2DRD4
SCHEMBL246168 0.71 PARP10 (0.69) PARP10PARP11PARP1DRD2DRD4
SCHEMBL12077946 0.70 HSD11B1 (0.38) PARP10PARP11PARP1DRD2DRD4
SCHEMBL26775387 0.70 CA9 (0.44) MAOAMAOBPRKCIPARP1GRM5
SCHEMBL29853505 0.70 CA9 (0.44) MAOAMAOBPRKCIPARP1GRM5
SCHEMBL12078239 0.69 PARP10 (0.38) PARP10PARP11PARP1PDPK1GRM5

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-2681206-B1 MST1 KINASE INHIBITORS AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS INC (US) 2017-06-14 EP disclosed
US-20140051681-A1 MST1 KINASE INHIBITORS AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS, INC. 2014-02-20 US disclosed
EP-2681206-A1 MST1 KINASE INHIBITORS AND METHODS OF THEIR USE Lexicon Pharmaceuticals, Inc. (US) 2014-01-08 EP disclosed
US-8440652-B2 MST1 kinase inhibitors and methods of their use LEXICON PHARMACEUTICALS, INC. (US) 2013-05-14 US disclosed
WO-2012121992-A1 MST1 KINASE INHIBITORS AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS, INC. (US) 2012-09-13 WO disclosed
US-20120225857-A1 MST1 KINASE INHIBITORS AND METHODS OF THEIR USE OXFORD FINANCE LLC, AS COLLATERAL AGENT 2012-09-06 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-20140051681-A1 MST1 KINASE INHIBITORS AND METHODS OF THEIR USE MST1, STK10, STK3 PARP10 1435/4885PARP11 1232/4885MAOA 4461/4885
US-20120225857-A1 MST1 KINASE INHIBITORS AND METHODS OF THEIR USE MST1, STK10, STK3 PARP10 1435/4885PARP11 1232/4885MAOA 4461/4885

“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.