SCHEMBL122504

SCHEMBL122504

CC(=O)c1ccc2[nH]ncc2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 4/20 0.64
ROCK1 Q13464 4/20 0.64
CTNNB1 P35222 6/20 0.61
WNT3A P56704 6/20 0.61
MAOB P27338 4/20 0.56
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 1/20 0.56
MAPT P10636 1/20 0.56
NPC1 O15118 4/20 0.55
RAB9A P51151 4/20 0.55
PRKD3 O94806 1/20 0.55
MAP4K4 O95819 1/20 0.55
RPS6KB1 P23443 1/20 0.55
CLK2 P49760 1/20 0.55
DYRK1A Q13627 1/20 0.55
PRKG1 Q13976 1/20 0.55
PRKD2 Q9BZL6 1/20 0.55
CLK4 Q9HAZ1 1/20 0.55
SGK2 Q9HBY8 1/20 0.55
STK17A Q9UEE5 1/20 0.55

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
SCHEMBL29521387 1.00 ROCK2 (0.64) ROCK2ROCK1CTNNB1WNT3AMAOB
SCHEMBL30194367 0.86 MAPT (0.68) ROCK2ROCK1MAOBKDM4EALDH1A1
SCHEMBL2933207 0.86 MAPT (0.68) ROCK2ROCK1MAOBKDM4EALDH1A1
SCHEMBL16617733 0.85 CTNNB1 (0.56) ROCK2ROCK1CTNNB1WNT3AMAOB
SCHEMBL30270547 0.84 CTNNB1 (0.65) ROCK2ROCK1CTNNB1WNT3AMAOB
SCHEMBL261380 0.84 CTNNB1 (0.65) ROCK2ROCK1CTNNB1WNT3AMAOB
SCHEMBL25139625 0.83 CTNNB1 (0.58) ROCK2ROCK1CTNNB1WNT3AMAOB
SCHEMBL14350880 0.82 CTNNB1 (0.66) ROCK2ROCK1CTNNB1WNT3AMAOB
Hydrochloric Acid SCHEMBL1665151 0.82 CTNNB1 (0.63) ROCK2ROCK1CTNNB1WNT3AMAOB
SCHEMBL1419814 0.82 AR (0.63) ROCK2ROCK1CTNNB1WNT3AMAOB

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 52 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240228504-A1 SUBSTITUTED TRICYCLIC AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2024-07-11 US disclosed
US-11897880-B2 7,8-dihydrobenzo[e]pyrido[3,4-c]azocine-2,5(3H,6H)-dione derivatives useful as a factor XIa inhibitors JANSSEN PHARMACEUTICA NV (BE) 2024-02-13 US disclosed
WO-2022272106-A1 CDK2 INHIBITORS AND METHODS OF USING THE SAME CEDILLA THERAPEUTICS, INC. (US) 2022-12-29 WO disclosed
US-20220389005-A1 7,8-DIHYDROBENZO[E]PYRIDO[3,4-C]AZOCINE-2,5(3H,6H)-DIONE DERIVATIVES USEFUL AS A FACTOR XIA INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2022-12-08 US disclosed
US-9402826-B2 Neuronal pain pathway modulators THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2016-08-02 US disclosed
US-20150126576-A1 NEURONAL PAIN PATHWAY MODULATORS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2015-05-07 US disclosed
US-8962607-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2015-02-24 US disclosed
US-8889711-B2 Pyrazolopyridine derivatives as anticancer agent PIERRE FABRE MEDICAMENT (FR) 2014-11-18 US disclosed
US-20140288090-A1 N-ARYLYLMETHYLINDAZOLE MODULATORS OF PPARG SCRIPPS RESEARCH INSTITUTE, THE 2014-09-25 US disclosed
US-8759333-B2 Di-azetidinyl diamide as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2014-06-24 US disclosed
US-20110028465-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME EVOTEC AG (DE) 2011-02-03 US disclosed
US-20110015170-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2011-01-20 US disclosed
US-20110015171-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2011-01-20 US disclosed
US-20100324013-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-12-23 US disclosed
EP-2240467-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME Renovis, Inc. (US) 2010-10-20 EP disclosed
US-20090253740-A1 SUBSTITUTED N-BICYCLICALKYL BICYCLICCARBOXYAMIDE COMPOUNDS PFIZER INC 2009-10-08 US disclosed
WO-2009089057-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INS. (US) 2009-07-16 WO disclosed
WO-2009089057-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INS. (US) 2009-07-16 WO disclosed
EP-2044018-A1 SUBSTITUTED N-BICYCLICALKYL BICYCLIC CARBOXYAMIDE COMPOUNDS Pfizer Japan, Inc. (JP) 2009-04-08 EP disclosed
WO-2008007211-A1 SUBSTITUTED N-BICYCLICALKYL BICYCLIC CARBOXYAMIDE COMPOUNDS PFIZER JAPAN INC. (JP) 2008-01-17 WO 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 (10 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-20150126576-A1 NEURONAL PAIN PATHWAY MODULATORS GRIN3A, GRIN3B, OPRK1 ROCK2 1756/4885ROCK1 1937/4885CTNNB1 1244/4885
US-11897880-B2 7,8-dihydrobenzo[e]pyrido[3,4-c]azocine-2,5(3H,6H)-dione derivatives useful as a factor XIa inhibitors F2, F13B, SERPINE1 ROCK2 517/4885ROCK1 677/4885CTNNB1 2264/4885
US-20110015171-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA ROCK2 2396/4885ROCK1 1994/4885CTNNB1 4162/4885
US-20100324013-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA ROCK2 2396/4885ROCK1 1994/4885CTNNB1 4162/4885
US-20110028465-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME TRPV1, TRPA1, TRPV2 ROCK2 3767/4885ROCK1 3918/4885CTNNB1 3770/4885
US-20110015170-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA ROCK2 2396/4885ROCK1 1994/4885CTNNB1 4162/4885
US-20090253740-A1 SUBSTITUTED N-BICYCLICALKYL BICYCLICCARBOXYAMIDE COMPOUNDS OPRL1, CNR1, TRPV1 ROCK2 4650/4885ROCK1 3716/4885CTNNB1 754/4885
US-20240228504-A1 SUBSTITUTED TRICYCLIC AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME SLC10A1, NR1H4, SLC10A2 ROCK2 4392/4885ROCK1 4089/4885CTNNB1 857/4885
US-20140288090-A1 N-ARYLYLMETHYLINDAZOLE MODULATORS OF PPARG CDK5, CDK5R1, PPARG ROCK2 1560/4885ROCK1 1310/4885CTNNB1 3867/4885
US-20220389005-A1 7,8-DIHYDROBENZO[E]PYRIDO[3,4-C]AZOCINE-2,5(3H,6H)-DIONE DERIVATIVES USEFUL AS A FACTOR XIA INHIBITORS F2, F13B, SERPINE1 ROCK2 517/4885ROCK1 677/4885CTNNB1 2264/4885

“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.