SCHEMBL3658697

SCHEMBL3658697

Cn1cnnc1-c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.59
ALDH1A1 P00352 3/20 0.58
KMT2A Q03164 1/20 0.45
TSHR P16473 2/20 0.44
POLB P06746 2/20 0.43
OPRD1 P41143 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
NR1H2 P55055 1/20 0.42
NR1H3 Q13133 1/20 0.42
KDM4E B2RXH2 2/20 0.42
HPGD P15428 2/20 0.42
HSD17B10 Q99714 2/20 0.42
HSD11B1 P28845 3/20 0.42
AVPR1A P37288 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
CLK1 P49759 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL30792272 0.86 ALDH1A1 (0.49) L3MBTL1ALDH1A1TSHRPOLBNPC1
SCHEMBL14020814 0.83 PTK2 (0.45) L3MBTL1ALDH1A1KMT2ATSHRPOLB
SCHEMBL11984411 0.82 MAPK14 (0.51) L3MBTL1ALDH1A1KMT2ATSHRPOLB
SCHEMBL2451213 0.81 L3MBTL1 (0.49) L3MBTL1ALDH1A1KMT2AKDM4EHPGD
SCHEMBL23291112 0.79 ALDH1A1 (0.44) L3MBTL1ALDH1A1KMT2ATSHRNPC1
SCHEMBL2477243 0.79 ALDH1A1 (0.47) L3MBTL1ALDH1A1KMT2AOPRD1NPC1
SCHEMBL61170 0.79 ALDH1A1 (0.38) L3MBTL1ALDH1A1TSHRLMNAGAA
SCHEMBL21811859 0.79 CYP2A6 (0.50) L3MBTL1ALDH1A1KMT2ANPC1RAB9A
SCHEMBL19219072 0.78 L3MBTL1 (0.46) L3MBTL1ALDH1A1KMT2AKDM4EHPGD
SCHEMBL21978806 0.78 ENPP3 (0.51) L3MBTL1ALDH1A1KMT2ATSHRPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220274968-A1 Oxazole And Oxadiazole Derivatives Useful As Agonists Of Free Fatty Acid Receptor 1 GBIOTECH S.À.R.L. (CH) 2022-09-01 US disclosed
EP-1883627-B1 BIR DOMAIN BINDING COMPOUNDS PHARMASCIENCE INC (CA) 2018-04-18 EP disclosed
US-9941479-B2 Tetradentate cyclometalated platinum complexes containing 9,10-dihydroacridine and its analogues ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2018-04-10 US disclosed
US-9365614-B2 IAP BIR domain binding compounds PHARMASCIENCE INC. (CA) 2016-06-14 US disclosed
US-9314468-B2 Chemokine receptor modulators ALTIRIS THERAPEUTICS, INC. (US) 2016-04-19 US disclosed
US-9314468-B2 Chemokine receptor modulators ALTIRIS THERAPEUTICS, INC. (US) 2016-04-19 US disclosed
US-9314468-B2 Chemokine receptor modulators ALTIRIS THERAPEUTICS, INC. (US) 2016-04-19 US disclosed
US-8980837-B2 Inhibitors of IAP GENENTECH, INC. (US) 2015-03-17 US disclosed
US-8980837-B2 Inhibitors of IAP GENENTECH, INC. (US) 2015-03-17 US disclosed
US-8907092-B2 Inhibitors of IAP GENENTECH, INC. (US) 2014-12-09 US disclosed
US-20070219140-A1 IAP BIR domain binding compounds AEGERA THERAPEUTICS, INC. (CA) 2007-09-20 US disclosed
US-7244851-B2 1-[2-Cyclohexyl-2-(2-methylamino-propionylamino)-acetyl]-pyrrolidine-2-carboxylic acid (2-phenyl-2H-pyrazol-3-yl)-amide; inhibitors of IAP, for treating malignancies GENENTECH, INC. (US) 2007-07-17 US disclosed
US-7244851-B2 1-[2-Cyclohexyl-2-(2-methylamino-propionylamino)-acetyl]-pyrrolidine-2-carboxylic acid (2-phenyl-2H-pyrazol-3-yl)-amide; inhibitors of IAP, for treating malignancies GENENTECH, INC. (US) 2007-07-17 US disclosed
US-20070093429-A1 IAP BIR domain binding compounds AEGERA THERAPEUTICS, INC. (CA) 2007-04-26 US disclosed
CN-1144791-C Triazole compounds and use thereof as dopamine-D3-ligands BASF 2004-04-07 CN disclosed
US-6472392-B1 Triazole compounds and the use thereof as dopamine-D3 -ligands ABBOTT LABORATORIES 2002-10-29 US disclosed
EP-0994865-B1 TRIAZOLE COMPOUNDS AND THE USE THEREOF AS DOPAMINE-D 3-LIGANDS BASF AG (DE) 2002-03-06 EP disclosed
CN-1262678-A Triazole compounds and use thereof as dopamine-D3-ligands BASF AG (DE) 2000-08-09 CN disclosed
EP-0994865-A1 TRIAZOLE COMPOUNDS AND THE USE THEREOF AS DOPAMINE-D 3?-LIGANDS BASF AKTIENGESELLSCHAFT (DE) 2000-04-26 EP disclosed
WO-1999002503-A1 TRIAZOLE COMPOUNDS AND THE USE THEREOF AS DOPAMINE-D3-LIGANDS BASF AKTIENGESELLSCHAFT (DE) 1999-01-21 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-20070093429-A1 IAP BIR domain binding compounds BIRC5, BIRC2, BIRC3 L3MBTL1 317/4885ALDH1A1 4074/4885KMT2A 4686/4885
US-20070219140-A1 IAP BIR domain binding compounds BIRC5, BIRC2, BIRC8 L3MBTL1 316/4885ALDH1A1 3967/4885KMT2A 4661/4885
US-20220274968-A1 Oxazole And Oxadiazole Derivatives Useful As Agonists Of Free Fatty Acid Receptor 1 FFAR2, FFAR1, FFAR3 L3MBTL1 4316/4885ALDH1A1 1197/4885KMT2A 3784/4885

“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.