SCHEMBL5604635

SCHEMBL5604635

Cn1ccnc1C(=O)c1nccn1C

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NAMPT P43490 1/20 0.47
HTT P42858 2/20 0.46
ALDH1A1 P00352 2/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
LPO P22079 1/20 0.44
LDHA P00338 4/20 0.39
LDHB P07195 4/20 0.39
FDPS P14324 2/20 0.39
CCR9 P51686 1/20 0.39
SMYD3 Q9H7B4 1/20 0.38

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
Bromide SCHEMBL7373319 0.98 RAB9A (0.48) TSHRRAB9ASMN1; SMN2NAMPTHTT
SCHEMBL12234495 0.84
SCHEMBL405925 0.84
SCHEMBL114011 0.84
Trifluoromethanesulfonic Acid SCHEMBL9016873 0.84 SMN1; SMN2 (0.46) TSHRRAB9ASMN1; SMN2NAMPTHTT
SCHEMBL1045991 0.82 SMN1; SMN2 (0.58) TSHRRAB9ASMN1; SMN2NAMPTHTT
SCHEMBL711909 0.82
Hydrochloric Acid SCHEMBL16239625 0.82 NAMPT (0.45) TSHRRAB9ASMN1; SMN2NAMPTHTT
SCHEMBL284637 0.82
Water SCHEMBL29957253 0.82 NAMPT (0.45) TSHRRAB9ASMN1; SMN2NAMPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019142208-A1 AMBIENT TEMPERATURE CURABLE NON-ISOCYANATE POLYHYDROXYALKYLURETHANE MOIETIES WITH ALDEHYDE CROSS LINKER Asian Paints Ltd. (IN) 2019-07-25 WO claimed
WO-2025132825-A1 1H-IMIDAZO[4,5-C]QUINOLINE METAL-BASED COMPLEXES USEFUL AS MEDICAMENTS FUNDACIÓN DONOSTIA INTERNATIONAL PHYSICS CENTER - DIPC (ES) 2025-06-26 WO disclosed
US-20250111889-A1 DE NOVO DESIGNED MACROCYCLIC OLIGOAMIDES UNIVERSITY OF WASHINGTON 2025-04-03 US disclosed
WO-2019142208-A1 AMBIENT TEMPERATURE CURABLE NON-ISOCYANATE POLYHYDROXYALKYLURETHANE MOIETIES WITH ALDEHYDE CROSS LINKER Asian Paints Ltd. (IN) 2019-07-25 WO disclosed
EP-1390340-B1 COPPER-CATALYZED FORMATION OF CARBON-HETEROATOM AND CARBON-CARBON BONDS MASSACHUSETTS INST TECHNOLOGY (US) 2017-03-01 EP disclosed
US-9067955-B2 Copper-catalyzed formation of carbon-heteroatom and carbon—carbon bonds MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2015-06-30 US disclosed
EP-1390340-A4 COPPER-CATALYZED FORMATION OF CARBON-HETEROATOM AND CARBON-CARBON BONDS MASSACHUSETTS INST TECHNOLOGY (US) 2007-07-25 EP disclosed
US-20060264673-A1 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2006-11-23 US disclosed
CN-1854128-A Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds MASSACHUSETTS INST TECHNOLOGY (US) 2006-11-01 CN disclosed
US-7115784-B2 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2006-10-03 US disclosed
US-5705703-A ENZYME INHIBITORS OF TRANSFERASES HOFFMANN-LA ROCHE INC. (US) 1998-01-06 US disclosed
US-5633371-A ENZYME INHIBITORS; TREATMENT OF DEPRESSION AND PARKINSON*S DISEASE HOFFMANN-LA ROCHE INC. (US) 1997-05-27 US disclosed
US-5389653-A Inhibitors of the enzyme catechol-O-methyltransferase; useful as co-medication in treatment of Parkinson's disease HOFFMAN-LA ROCHE INC. (US) 1995-02-14 US disclosed
EP-0623130-A1 ANTIBACTERIAL 1-NORMON-2-YL THIAZOLYL KETONES SMITHKLINE BEECHAM PLC (GB) 1994-11-09 EP disclosed
US-5236952-A Inhibit the enzyme catechol-O-methyltransferase; for treatment of Parkinson's disease administered with L-dopa HOFFMANN-LA ROCHE INC. (US) 1993-08-17 US disclosed
WO-1993015072-A1 ANTIBACTERIAL 1-NORMON-2-YL THIAZOLYL KETONES SMITHKLINE BEECHAM PLC (GB) 1993-08-05 WO disclosed
EP-0544705-A1 DERIVATIVES OF MUPIROCIN Beecham Group p.l.c. (GB) 1993-06-09 EP disclosed
EP-0237929-B1 3,5-DISUBSTITUTED PYROCATECHOL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1993-06-02 EP disclosed
WO-1992002518-A1 DERIVATIVES OF MUPIROCIN BEECHAM GROUP PLC (GB) 1992-02-20 WO disclosed
EP-0237929-A1 3,5-Disubstituted pyrocatechol derivatives F. HOFFMANN-LA ROCHE AG (CH) 1987-09-23 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 (2 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-20060264673-A1 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds ADH5, CBR3, ALDH3A1 TSHR 3079/4885RAB9A 3411/4885SMN1; SMN2 3768/4885
US-20250111889-A1 DE NOVO DESIGNED MACROCYCLIC OLIGOAMIDES DHFR, CCNH, ODC1 TSHR 1979/4885RAB9A 4418/4885SMN1; SMN2 1509/4885

“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.