SCHEMBL5011830

SCHEMBL5011830

Cc1cn(Nc2ccncc2F)c2ccccc12

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.62
BCHE P06276 1/20 0.58
ACHE P22303 1/20 0.58
TGFBR1 P36897 9/20 0.37
TGFBR2 P37173 9/20 0.37
CYP11B2 P19099 1/20 0.35
CFD P00746 2/20 0.35
BUB1 O43683 1/20 0.34
TOP2A P11388 1/20 0.34

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
SCHEMBL8442016 0.87 SLC6A2 (0.67) SLC6A2BCHEACHECYP11B2TOP2A
SCHEMBL13570032 0.84 SLC6A2 (0.62) SLC6A2BCHEACHETGFBR1CYP11B2
SCHEMBL7612596 0.84 SLC6A2 (0.62) SLC6A2BCHEACHETGFBR1TGFBR2
Hydrochloric Acid SCHEMBL7614144 0.83 SLC6A2 (0.60) SLC6A2BCHEACHETGFBR1TGFBR2
SCHEMBL8539866 0.78 BCHE (0.63) SLC6A2BCHEACHE
SCHEMBL7611582 0.77 SLC6A2 (1.00) SLC6A2BCHEACHE
SCHEMBL9663897 0.77 SLC6A2 (0.56) SLC6A2BCHEACHETGFBR1TGFBR2
Hydrochloric Acid SCHEMBL3977103 0.76 SLC6A2 (0.41) SLC6A2BCHEACHE
Hydrochloric Acid SCHEMBL9665059 0.76 SLC6A2 (0.54) SLC6A2BCHEACHETGFBR1TGFBR2
SCHEMBL10402431 0.75 SLC6A2 (0.57) SLC6A2TGFBR1TGFBR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0840609-B1 USE OF UNSUBSTITUTED AND SUBSTITUTED N-(PYRROL-1-YL)PYRIDINAMINES AS ANTICONVULSANT AGENTS AVENTIS PHARMA INC (US) 2002-06-05 EP claimed
US-5776955-A Use of unsubstituted and substituted n-(pyrrol-1-yl)pyridinamines as anticonvulsant agents HOECHST MARION ROUSSEL, INC. 1998-07-07 US claimed
EP-0840609-A1 USE OF UNSUBSTITUTED AND SUBSTITUTED N-(PYRROL-1-YL)PYRIDINAMINES AS ANTICONVULSANT AGENTS HOECHST MARION ROUSSEL, INC. (US) 1998-05-13 EP claimed
WO-1997004777-A1 USE OFF UNSUBSTITUTED AND SUBSTITUTED N-(PYRROL-1-YL)PYRIDINAMINES AS ANTICONVULSANT AGENTS HOECHST MARION ROUSSEL, INC. (US) 1997-02-13 WO claimed
US-4880822-A COGNITION ACTIVATORS, ANALGESICS HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1989-11-14 US claimed
EP-2138176-A1 Method of treating cognitive impairment Aventis Pharmaceuticals Inc. (US) 2009-12-30 EP disclosed
US-20090281147-A1 METHOD OF TREATING OF DEMYELINATING DISEASES OR CONDITIONS AVENTIS PHARMACEUTICALS INC. (US) 2009-11-12 US disclosed
US-20090281147-A1 METHOD OF TREATING OF DEMYELINATING DISEASES OR CONDITIONS AVENTIS PHARMACEUTICALS INC. (US) 2009-11-12 US disclosed
US-20090270458-A1 METHOD OF TREATING OF DEMYELINATING DISEASES OR CONDITIONS AVENTIS PHARMACEUTICALS INC. (US) 2009-10-29 US disclosed
US-20090270458-A1 METHOD OF TREATING OF DEMYELINATING DISEASES OR CONDITIONS AVENTIS PHARMACEUTICALS INC. (US) 2009-10-29 US disclosed
EP-1734959-B1 COMPOUNDS FOR TREATING SCHIZOPHRENIA AND/OR GLUCOREGULATORY ABNORMALITIES AVENTIS PHARMA INC (US) 2009-10-28 EP disclosed
US-20090209595-A1 METHOD OF TREATING OF DEMYELINATING DISEASES OR CONDITIONS AVENTIS PHARMACEUTICALS INC. (US) 2009-08-20 US disclosed
US-5356910-A Use of N-(pyridinyl)-1H-indol-1-amines for the treatment of obsessive-compulsive disorder HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1994-10-18 US disclosed
US-5276156-A Antidepressants, treatment of Alzheimer*s disease HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1994-01-04 US disclosed
US-5214038-A Cholinesterase inhibitors, antidepressants, cognition activators HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1993-05-25 US disclosed
EP-0509400-A1 1-(Pyrido[3,4-b]-1,4-oxazinyl-4-yl)-1H-indoles, intermediates and a process for their preparation, and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1992-10-21 EP disclosed
US-5039811-A Analgesics, antidepressants, memory activators; condensation, reduction HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1991-08-13 US disclosed
US-4970218-A ANALGESIC, ANTIDEPRESSANT, MEMORY ENHANCEMENT HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1990-11-13 US disclosed
US-4880822-A COGNITION ACTIVATORS, ANALGESICS HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1989-11-14 US disclosed
EP-0287982-A2 N-(Pyridinyl)-1H-indol-1-amines, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1988-10-26 EP 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-20090209595-A1 METHOD OF TREATING OF DEMYELINATING DISEASES OR CONDITIONS PMP22, BDKRB1, BDKRB2 SLC6A2 1049/4885BCHE 977/4885ACHE 167/4885
US-20090281147-A1 METHOD OF TREATING OF DEMYELINATING DISEASES OR CONDITIONS PMP22, BDKRB1, BDKRB2 SLC6A2 1049/4885BCHE 977/4885ACHE 167/4885
US-20090270458-A1 METHOD OF TREATING OF DEMYELINATING DISEASES OR CONDITIONS PMP22, BDKRB1, BDKRB2 SLC6A2 1049/4885BCHE 977/4885ACHE 167/4885

“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.