SCHEMBL1397384

SCHEMBL1397384

COc1ccc(C(N)=O)cc1N1CCN(C)CC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.63
ALDH1A1 P00352 1/20 0.63
HSD17B10 Q99714 1/20 0.63
HTR1D P28221 12/20 0.62
HTR1B P28222 10/20 0.54
HTR2A P28223 4/20 0.54
DRD2 P14416 1/20 0.53
DRD3 P35462 1/20 0.53
NPC1 O15118 1/20 0.52
POLB P06746 1/20 0.52
RAB9A P51151 1/20 0.52
HTR1A P08908 9/20 0.52
HTR2C P28335 5/20 0.52
HTR6 P50406 4/20 0.52
HTR7 P34969 2/20 0.52
SLC2A1 P11166 1/20 0.52
SLC2A2 P11168 1/20 0.52
SLC2A3 P11169 1/20 0.52
TMPRSS2 O15393 1/20 0.52
SLC6A4 P31645 1/20 0.52

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
Hydrochloric Acid SCHEMBL3072094 0.99 KDM4E (0.62) KDM4EALDH1A1HSD17B10HTR1DHTR1B
Hydrochloric Acid SCHEMBL6343776 0.99 KDM4E (0.62) KDM4EALDH1A1HSD17B10HTR1DHTR1B
SCHEMBL6977001 0.89 KDM4E (0.68) KDM4EALDH1A1HSD17B10HTR1DHTR1B
SCHEMBL5827458 0.87 HTR1D (0.55) HTR1DHTR1BHTR2ADRD2DRD3
SCHEMBL8986030 0.86 HTR1D (0.57) KDM4EALDH1A1HTR1DHTR1BHTR2A
SCHEMBL6972474 0.85 HSD17B10 (0.59) KDM4EALDH1A1HSD17B10HTR1DPOLB
SCHEMBL6973212 0.85 ALDH1A1 (0.59) KDM4EALDH1A1HSD17B10HTR1DHTR1B
SCHEMBL7805007 0.85 HTR1D (0.59) HTR1DHTR1BHTR2ADRD2DRD3
SCHEMBL2779632 0.84 HTR3A (0.59) HTR1DDRD2DRD3HTR1AHTR6
Hydrochloric Acid SCHEMBL7795219 0.84 HTR1D (0.56) KDM4EALDH1A1HTR1DHTR1BHTR2A

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-8906934-B2 Pyridyl-and pyrimidinyl-substituted pyrrole-, thiophene-and furane-derivatives as kinase inhibitors Nerviano Medical Science S.R.L. (IT) 2014-12-09 US claimed
EP-2004623-B1 PYRIDYL- AND PYRIMIDINYL-SUBSTITUTED PYRROLE-, THIOPHENE- AND FURANE-DERIVATIVES AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2013-10-09 EP claimed
US-20120295906-A1 PYRIDYL-AND PYRIMIDINYL-SUBSTITUTED PYRROLE-, THIOPHENE-AND FURANE-DERIVATIVES AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-11-22 US claimed
US-8263604-B2 Pyridyl- and pyrimidinyl-substituted pyrrole-, thiophene- and furane-derivatives as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-09-11 US claimed
EP-2190834-B1 PYRIDONEAMIDE DERIVATIVES AS FOCAL ADHESION KINASE (FAK) INHIBITORS AND THEIR USE FOR THE TREATMENT OF CANCER HOFFMANN LA ROCHE (CH) 2011-03-02 EP claimed
EP-2190834-A1 PYRIDONEAMIDE DERIVATIVES AS FOCAL ADHESION KINASE (FAK) INHIBITORS AND THEIR USE FOR THE TREATMENT OF CANCER F. Hoffmann-Roche AG (CH) 2010-06-02 EP claimed
EP-2065380-A1 Pyridoneamide derivatives as focal adhesion kinase (FAK) inhibitors and their use for the treatment of cancer F.HOFFMANN-LA ROCHE AG (CH) 2009-06-03 EP claimed
US-20090099221-A1 PYRIDYL-AND PYRIMIDINYL-SUBSTITUTED PYRROLE-, THIOPHENE-AND FURANE-DERIVATIVES AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2009-04-16 US claimed
WO-2009024332-A1 PYRIDONEAMIDE DERIVATIVES AS FOCAL ADHESION KINASE (FAK) INHIBITORS AND THEIR USE FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2009-02-26 WO claimed
EP-2004623-A1 PYRIDYL- AND PYRIMIDINYL-SUBSTITUTED PYRROLE-, THIOPHENE- AND FURANE-DERIVATIVES AS KINASE INHIBITORS Nerviano Medical Sciences S.r.l. (IT) 2008-12-24 EP claimed
WO-2007110344-A1 PYRIDYL- AND PYRIMIDINYL-SUBSTITUTED PYRROLE-, THIOPHENE- AND FURANE-DERIVATIVES AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2007-10-04 WO claimed
EP-0946539-B1 SULPHONAMIDE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS MEDICAMENTS SMITHKLINE BEECHAM PLC (GB) 2003-08-13 EP claimed
US-20030069233-A1 Sulphonamide derivatives, process for their preparation, and their use as medicaments SMITHKLINE BEECHAM P.L.C. 2003-04-10 US claimed
US-6509340-B1 These preparations can be employed as medicaments in human and veterinary medicine. Possible excipients are organic or inorganic substances which are suitable for enteral (e.g. oral) on the central nervous system. MERCK PATENTGESELLSCHAFT (DE) 2003-01-21 US claimed
US-6423717-B1 NERVOUS SYSTEM DISORDERS SMITHKLINE BEECHAM P.L.C. (GB) 2002-07-23 US claimed
CN-1246116-A Sulfonamide derivatives, process for their preparation and their use as medicaments SMITHKLINE BEECHAM PLC (GB) 2000-03-01 CN claimed
EP-0946539-A1 SULPHONAMIDE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS MEDICAMENTS SMITHKLINE BEECHAM PLC (GB) 1999-10-06 EP claimed
WO-1998027081-A1 SULPHONAMIDE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS MEDICAMENTS SMITHKLINE BEECHAM PLC (GB) 1998-06-25 WO claimed
WO-2020183011-A1 HTR1D INHIBITORS AND USES THEREOF IN THE TREATMENT OF CANCER INSTITUT CURIE (FR) 2020-09-17 WO disclosed
WO-1998027081-A1 SULPHONAMIDE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS MEDICAMENTS SMITHKLINE BEECHAM PLC (GB) 1998-06-25 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 (3 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-20030069233-A1 Sulphonamide derivatives, process for their preparation, and their use as medicaments TPMT, MPST, STS KDM4E 1086/4885ALDH1A1 2516/4885HSD17B10 3660/4885
US-20090099221-A1 PYRIDYL-AND PYRIMIDINYL-SUBSTITUTED PYRROLE-, THIOPHENE-AND FURANE-DERIVATIVES AS KINASE INHIBITORS CDK2, CDK1, CDK5 KDM4E 881/4885ALDH1A1 2123/4885HSD17B10 4314/4885
US-20120295906-A1 PYRIDYL-AND PYRIMIDINYL-SUBSTITUTED PYRROLE-, THIOPHENE-AND FURANE-DERIVATIVES AS KINASE INHIBITORS CDK2, CDK1, CDK5 KDM4E 872/4885ALDH1A1 2167/4885HSD17B10 4303/4885

“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.