SCHEMBL3868709

SCHEMBL3868709

[C]1CCCc2nc3ccccc3cc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 6/20 0.42
ALDH1A1 P00352 5/20 0.42
MAPT P10636 2/20 0.42
HPGD P15428 2/20 0.42
GLA P06280 1/20 0.42
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
CTSK P43235 1/20 0.36
BCHE P06276 5/20 0.36
KDM4E B2RXH2 4/20 0.36
TSHR P16473 3/20 0.36
HSD17B10 Q99714 3/20 0.36
CYP2D6 P10635 3/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C19 P33261 2/20 0.36
CACNB4 O00305 1/20 0.36
CACNA1A O00555 1/20 0.36
SLC22A2 O15244 1/20 0.36
SLC22A1 O15245 1/20 0.36

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
SCHEMBL1694673 0.76 ALDH1A1 (0.42) ACHEALDH1A1MAPTHPGDGLA
SCHEMBL2476560 0.73 BCHE (0.39) ACHEALDH1A1MAPTBCHEKDM4E
SCHEMBL452908 0.71 NPC1 (0.49) ACHEALDH1A1MAPTHPGDGLA
SCHEMBL3506845 0.71 NPC1 (0.49) ACHEALDH1A1MAPTHPGDGLA
SCHEMBL30645420 0.71 NPC1 (0.49) ACHEALDH1A1MAPTHPGDGLA
SCHEMBL42412 0.71 MEN1 (0.36) TSHRSLC6A2SLC6A3MEN1KMT2A
SCHEMBL9347454 0.69 KMT2A (0.48) ACHEALDH1A1MAPTHPGDGLA
Ammonia Solution, Strong SCHEMBL9633554 0.69 NPC1 (0.48) ACHEALDH1A1MAPTHPGDGLA
Hydrochloric Acid SCHEMBL4353079 0.69 NPC1 (0.48) ACHEALDH1A1MAPTHPGDGLA
Hydrochloric Acid SCHEMBL28869036 0.68 CTSL (0.49) ACHEALDH1A1MAPTHPGDGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117700432-A Organic compound and organic electroluminescent device containing same 清华大学 2024-03-15 CN claimed
WO-2018151678-A1 COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2018-08-23 WO claimed
EP-2766352-B1 INDAZOLE COMPOUNDS AS KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIV HEALTH NETWORK UHN (CA) 2018-06-06 EP claimed
US-9580390-B2 Indazole compounds as kinase inhibitors and method of treating cancer with same UNIVERSITY HEALTH NETWORK (CA) 2017-02-28 US claimed
US-8980934-B2 Kinase inhibitors and method of treating cancer with same UNIVERSITY HEALTH NETWORK (CA) 2015-03-17 US claimed
US-20140371202-A1 INDAZOLE COMPOUNDS AS KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERSITY HEALTH NETWORK (CA) 2014-12-18 US claimed
EP-2766352-A1 INDAZOLE COMPOUNDS AS KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME University Health Network (UHN) (CA) 2014-08-20 EP claimed
US-20140051679-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERISTY HEALTH NETWORKS (CA) 2014-02-20 US claimed
US-20140005167-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERSITY HEALTH NETWORKS (CA) 2014-01-02 US claimed
WO-2013053051-A1 INDAZOLE COMPOUNDS AS KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERSITY HEALTH NETWORK (CA) 2013-04-18 WO claimed
US-7538122-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2009-05-26 US claimed
US-20080139544-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2008-06-12 US claimed
US-7332500-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2008-02-19 US claimed
EP-1716156-A2 CHEMOKINE CCR5 RECEPTOR MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2006-11-02 EP claimed
WO-2005075484-A2 CHEMOKINE CCR5 RECEPTOR MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-08-18 WO claimed
US-20050176703-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2005-08-11 US claimed
US-5756730-A Process for preparing analgesic compounds SANKYO COMPANY, LIMITED (JP) 1998-05-26 US claimed
US-5656758-A AMIDATION OF AN AMINE-CONTAINING THIOMORPHOLINE OR PIPERAZINE COMPOUND SANKYO COMPANY, LIMITED (JP) 1997-08-12 US claimed
EP-0485419-A1 ACRIDINE DERIVATIVES Trifree Limited (GB) 1992-05-20 EP claimed
WO-1991001974-A1 ACRIDINE DERIVATIVES TRIFREE LIMITED (GB) 1991-02-21 WO claimed

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-20140005167-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME MAP3K7, MAP3K1, MAP3K20 ACHE 2863/4885ALDH1A1 2710/4885MAPT 1877/4885
US-20080139544-A1 Heterocyclic antiviral compounds CCR5, CCR3, CCR1 ACHE 4735/4885ALDH1A1 481/4885MAPT 4829/4885
US-20140371202-A1 INDAZOLE COMPOUNDS AS KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME PLK4, PLK2, PLK3 ACHE 2230/4885ALDH1A1 2934/4885MAPT 590/4885
US-20140051679-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME MAP3K7, MAP3K1, MAP3K20 ACHE 2863/4885ALDH1A1 2710/4885MAPT 1877/4885
US-20050176703-A1 Heterocyclic antiviral compounds CCR5, CCR3, CCR1 ACHE 4735/4885ALDH1A1 481/4885MAPT 4829/4885

“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.