SCHEMBL46562

SCHEMBL46562

CN(C)Cc1c[nH]c2ncccc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 2/20 0.67
MET P08581 1/20 0.58
KMT2A Q03164 2/20 0.56
CYP2D6 P10635 2/20 0.56
KDM4E B2RXH2 1/20 0.56
MEN1 O00255 1/20 0.56
ALDH1A1 P00352 1/20 0.56
CYP3A4 P08684 1/20 0.56
TSHR P16473 1/20 0.56
CYP2C19 P33261 1/20 0.56
HSD17B10 Q99714 1/20 0.56
MTNR1A P48039 1/20 0.54
SLC6A4 P31645 1/20 0.51
FGFR1 P11362 1/20 0.50
FGFR4 P22455 1/20 0.50
AXL P30530 1/20 0.50
BCHE P06276 1/20 0.50
DRD4 P21917 3/20 0.49
DRD2 P14416 2/20 0.49
DRD3 P35462 2/20 0.49

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
Iodide SCHEMBL4717370 0.98 GPR84 (0.65) GPR84METKMT2ACYP2D6KDM4E
Iodomethane SCHEMBL9399868 0.97 GPR84 (0.63) GPR84METKMT2ACYP2D6KDM4E
Ethoxycarbonyl Group SCHEMBL28008457 0.85 GPR84 (0.50) GPR84METKMT2ACYP2D6KDM4E
SCHEMBL30886870 0.84 GPR84 (0.63) GPR84METMTNR1ASLC6A4FGFR1
SCHEMBL6359455 0.84 GPR84 (0.63) GPR84METMTNR1ASLC6A4FGFR1
Hydrochloric Acid SCHEMBL4869205 0.83 GPR84 (0.61) GPR84METMTNR1ASLC6A4FGFR1
SCHEMBL31385845 0.81 GPR84 (0.73) GPR84METKMT2AMTNR1AFGFR1
SCHEMBL2692513 0.81 GPR84 (0.73) GPR84METKMT2AMTNR1AFGFR1
SCHEMBL27911675 0.80 GPR84 (1.00) GPR84METKMT2ACYP2D6MEN1
SCHEMBL2217980 0.79 GPR84 (0.76) GPR84METKMT2ACYP2D6CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250376464-A1 Compounds for treatment a coronavirus infection TRAWSFYNYDD THERAPEUTICS INC (US) 2025-12-11 US disclosed
EP-4540227-A2 COMPOUNDS FOR TREATMENT A CORONAVIRUS INFECTION Trawsfynydd Therapeutics, Inc. (US) 2025-04-23 EP disclosed
CN-119630642-A Compounds for the treatment of coronavirus infections 特劳斯芬尼德治疗股份有限公司 2025-03-14 CN disclosed
WO-2023245162-A2 COMPOUNDS FOR TREATMENT A CORONAVIRUS INFECTION TRAWSFYNYDD THERAPEUTICS, INC. (US) 2023-12-21 WO disclosed
WO-2023245162-A2 COMPOUNDS FOR TREATMENT A CORONAVIRUS INFECTION TRAWSFYNYDD THERAPEUTICS, INC. (US) 2023-12-21 WO disclosed
EP-3177621-B1 NOVEL HDAC6 INHIBITORS AND THEIR USES UNIV REGENSBURG (DE) 2021-11-10 EP disclosed
EP-3177621-B1 NOVEL HDAC6 INHIBITORS AND THEIR USES UNIV REGENSBURG (DE) 2021-11-10 EP disclosed
CN-106999536-B Macrocyclic inhibitors of PD-1/PD-L1 and CD80(B7-1)/PD-L1 protein/protein interactions 百时美施贵宝公司 2020-11-27 CN disclosed
EP-3307724-B1 (Z)-2-(1H-INDOL-3-YL)-3-(ISOQUINOLIN-5-YL)ACRYLONITRILE DERIVATIVES AND RELATED COMPOUNDS WITH LYSOSOME INHIBITORY AND ANTI-MITOTIC ACTIVITY FOR TREATING HYPERPROLIFERATIVE DISEASES NAT UNIV SINGAPORE (SG) 2020-06-10 EP disclosed
EP-3307724-B1 (Z)-2-(1H-INDOL-3-YL)-3-(ISOQUINOLIN-5-YL)ACRYLONITRILE DERIVATIVES AND RELATED COMPOUNDS WITH LYSOSOME INHIBITORY AND ANTI-MITOTIC ACTIVITY FOR TREATING HYPERPROLIFERATIVE DISEASES NAT UNIV SINGAPORE (SG) 2020-06-10 EP disclosed
EP-0724572-A1 FUSED TRICYCLIC HETEROAROMATIC DERIVATIVES AS DOPAMINE RECEPTOR SUBTYPE LIGANDS MERCK SHARP & DOHME LTD. (GB) 1996-08-07 EP disclosed
WO-1996005200-A1 TETRAHYDROPYRIDINYLMETHYL DERIVATIVES OF PYRROLO[2,3-b]PYRIDINE MERCK SHARP & DOHME LIMITED (GB) 1996-02-22 WO disclosed
EP-0687267-A1 PYRROLO-PYRIDINE DERIVATIVES MERCK SHARP & DOHME LTD. (GB) 1995-12-20 EP disclosed
US-5432177-A Pyrrolo-pyridine derivatives MERCK SHARPE & DOHME LTD. (GB) 1995-07-11 US disclosed
WO-1995014690-A1 MORPHOLINE DERIVATIVES AS DOPAMINE RECEPTOR SUBTYPE LIGANDS MERCK SHARP & DOHME LIMITED (GB) 1995-06-01 WO disclosed
WO-1995014672-A1 ISOXAZOLE AND PYRAZOLE DERIVATIVES AS DOPAMINE RECEPTOR SUBTYPE LIGANDS MERCK SHARP & DOHME LIMITED (GB) 1995-06-01 WO disclosed
WO-1995007893-A1 FUSED TRICYCLIC HETEROAROMATIC DERIVATIVES AS DOPAMINE RECEPTOR SUBTYPE LIGANDS MERCK SHARP & DOHME LIMITED (GB) 1995-03-23 WO disclosed
EP-0623618-A2 Pyrrolo-pyridine derivatives MERCK SHARP & DOHME LTD. (GB) 1994-11-09 EP disclosed
WO-1994020497-A1 PYRROLO-PYRIDINE DERIVATIVES MERCK SHARP & DOHME LIMITED (GB) 1994-09-15 WO disclosed
WO-1994020459-A2 PYRROLO-PYRIDINE DERIVATIVES AS DOPAMINE RECEPTOR LIGANDS MERCK SHARP & DOHME LIMITED (GB) 1994-09-15 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 (1 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-20250376464-A1 Compounds for treatment a coronavirus infection ACE2, ACE, TMPRSS2 GPR84 1389/4885MET 1372/4885KMT2A 2671/4885

“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.