SCHEMBL3066593

SCHEMBL3066593

Cn1c(=O)[nH]c2cc(Cl)ccc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.57
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
MAOB P27338 2/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
PGR P06401 2/20 0.56
PABPC1 P11940 1/20 0.54
MAPT P10636 3/20 0.53
DAO P14920 1/20 0.50
HTR1A P08908 1/20 0.50
ADRA2A P08913 1/20 0.50
DRD2 P14416 1/20 0.50
HTR2A P28223 1/20 0.50
SLC6A4 P31645 1/20 0.50
DRD3 P35462 1/20 0.50
CA9 Q16790 2/20 0.47
CA12 O43570 1/20 0.47
THRB P10828 1/20 0.46
PSMB8 P28062 1/20 0.46
GRIN2D O15399 1/20 0.46

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
SCHEMBL29914985 0.85 PGR (0.69) LMNAMEN1KMT2AMAOBL3MBTL1
SCHEMBL3063232 0.85 PGR (0.69) LMNAMEN1KMT2AMAOBL3MBTL1
SCHEMBL18202969 0.83 PGR (0.55) LMNAMEN1KMT2AMAOBL3MBTL1
SCHEMBL9398023 0.82 GRIA1 (0.65) LMNAMEN1KMT2AL3MBTL1MAPT
SCHEMBL3263393 0.79 DAO (0.66) LMNAMAOBPGRMAPTDAO
SCHEMBL9919009 0.79 CA9 (0.66) LMNAMEN1KMT2APABPC1DAO
SCHEMBL16997517 0.79 MEN1 (0.54) LMNAMEN1KMT2AL3MBTL1PGR
SCHEMBL25318060 0.78 LMNA (0.56) LMNAMAOBPGRMAPTDAO
SCHEMBL1639030 0.78 LMNA (0.56) LMNAMAOBPGRMAPTDAO
SCHEMBL625508 0.78 MAPT (0.59) LMNAMAOBPGRMAPTDAO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090099157-A1 TETRAHYDRO-PYRAZOLO-PYRIDINE THIOETHER MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. 2009-04-16 US claimed
WO-2008100621-A2 TETRAHYDRO-PYRAZOLO-PYRIDINE THIOETHER MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. (US) 2008-08-21 WO claimed
EP-3402797-B1 HETEROCYCLE DERIVATIVES AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2020-02-19 EP disclosed
US-10375962-B2 Heterocycle derivatives as pesticides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-08-13 US disclosed
US-20190021329-A1 HETEROCYCLE DERIVATIVES AS PESTICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-01-24 US disclosed
EP-2470021-B1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME (US) 2014-10-22 EP disclosed
WO-2014036022-A1 QUINAZOLINONE COMPOUNDS AND DERIVATIVES THEREOF AMGEN INC. (US) 2014-03-06 WO disclosed
US-7790726-B2 Monocyclic and bicyclic compounds and methods of use CHEMOCENTRYX, INC. (US) 2010-09-07 US disclosed
US-7790726-B2 Monocyclic and bicyclic compounds and methods of use CHEMOCENTRYX, INC. (US) 2010-09-07 US disclosed
EP-1931348-A4 MONOCYCLIC AND BICYCLIC COMPOUNDS AND METHODS OF USE CHEMOCENTRYX INC (US) 2009-08-12 EP disclosed
US-20090099157-A1 TETRAHYDRO-PYRAZOLO-PYRIDINE THIOETHER MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. 2009-04-16 US disclosed
US-20070129361-A1 LACTAM-CONTAINING DIAMINOALKYL, Beta-AMINOACIDS, Alpha-AMINOACIDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS QIAO JENNIFER X 2007-06-07 US disclosed
US-20070129361-A1 LACTAM-CONTAINING DIAMINOALKYL, Beta-AMINOACIDS, Alpha-AMINOACIDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS QIAO JENNIFER X 2007-06-07 US disclosed
US-20070066583-A1 Monocyclic and bicyclic compounds and methods of use CHEMOCENTRYX, INC. (US) 2007-03-22 US disclosed
US-20070066583-A1 Monocyclic and bicyclic compounds and methods of use CHEMOCENTRYX, INC. (US) 2007-03-22 US disclosed
WO-2007022257-A2 MONOCYCLIC AND BICYCLIC COMPOUNDS AND METHODS OF USE CHEMOCENTRYX, INC. (US) 2007-02-22 WO disclosed
WO-2007022257-A2 MONOCYCLIC AND BICYCLIC COMPOUNDS AND METHODS OF USE CHEMOCENTRYX, INC. (US) 2007-02-22 WO disclosed
WO-2004108892-A2 1,1-DISUBSTITUTEDCYCLOALKYL-, GLYCINAMIDYL-, SULFONYL-AMIDINO-, AND TETRAHYDROPYRIMIDINYL-CONTAINING DIAMINOALKYL, β-AMINOACIDS, α-AMINOACIDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-12-16 WO disclosed
EP-1105388-B1 N-SUBSTITUTED AZABICYCLOHEPTANE DERIVATIVES, PRODUCTION AND USE THEREOF BASF AG (DE) 2003-05-02 EP disclosed
US-6458821-B1 THE NOVEL SUBSTANCES ARE SUITABLE FOR CONTROLLING DISEASES. INTERESTING PROPERTIES AS POTENTIAL NEUROLEPTICS AND ANTIDEPRESSANTS ABBOTT LABORATORIES 2002-10-01 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 (5 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-10375962-B2 Heterocycle derivatives as pesticides DDT, ACHE, CBR1 LMNA 692/4885MEN1 366/4885KMT2A 3078/4885
US-20070129361-A1 LACTAM-CONTAINING DIAMINOALKYL, Beta-AMINOACIDS, Alpha-AMINOACIDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS PEPD, XPNPEP1, METAP1 LMNA 1088/4885MEN1 196/4885KMT2A 2903/4885
US-20090099157-A1 TETRAHYDRO-PYRAZOLO-PYRIDINE THIOETHER MODULATORS OF CATHEPSIN S CTSS, CTSE, CTSK LMNA 4575/4885MEN1 4868/4885KMT2A 4175/4885
US-20190021329-A1 HETEROCYCLE DERIVATIVES AS PESTICIDES DDT, ACHE, CBR1 LMNA 692/4885MEN1 366/4885KMT2A 3078/4885
US-20070066583-A1 Monocyclic and bicyclic compounds and methods of use CCR1, CCR3, CCR4 LMNA 2708/4885MEN1 3626/4885KMT2A 4350/4885

“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.