SCHEMBL394147

SCHEMBL394147

OB(O)c1cccc2ccsc12

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.50
HDAC4 P56524 1/20 0.41
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
MAPT P10636 1/20 0.34
OPRM1 P35372 1/20 0.33
OPRK1 P41145 1/20 0.33
ENPP2 Q13822 1/20 0.33
DAO P14920 1/20 0.33
PIM1 P11309 1/20 0.33
HDAC1 Q13547 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31

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
SCHEMBL25745448 0.72 CYP2A6 (0.34) CYP2A6
SCHEMBL156699 0.71 CYP2A6 (0.50) CYP2A6HDAC4SLC6A2SLC6A4SLC6A3
SCHEMBL911242 0.71 CYP2A6 (0.50) CYP2A6HDAC4SLC6A2SLC6A4SLC6A3
SCHEMBL28859068 0.71 MAPT (0.43) CYP2A6MAPTENPP2
SCHEMBL154424 0.68 CYP2A6 (0.47) CYP2A6MAPT
SCHEMBL3793757 0.68 CYP2A6 (0.47) CYP2A6HDAC4OPRM1OPRK1HDAC1
SCHEMBL32691537 0.68 TRPM5 (0.36) HDAC4ENPP2
SCHEMBL17858547 0.68 CYP2A6 (0.43) CYP2A6HDAC4SLC6A2SLC6A4SLC6A3
SCHEMBL13318284 0.67 ALDH1A1 (0.45) MAPTENPP2
SCHEMBL2011067 0.67 CYP2A6 (0.50) CYP2A6HDAC4SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260085073-A1 PYRAZOLYLCARBOXAMIDE COMPOUNDS AND THEIR USE IN THERAPY HOTSPOT THERAPEUTICS INC (US) 2026-03-26 US disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
CN-114269730-A 5-heteroaryl-pyridin-2-amine compounds as neuropeptide FF receptor antagonists 多曼治疗学公司 2022-04-01 CN disclosed
EP-3536692-B1 PYRAZOLOPYRIMIDINYL INHIBITORS OF UBIQUITIN-ACTIVATING ENZYME MILLENNIUM PHARM INC (US) 2021-04-07 EP disclosed
EP-3569600-A1 4-AMINO-6-(HETEROCYCLIC)PICOLINATES AND 6-AMINO-2-(HETEROCYCLIC)PYRIMIDINE-4-CARBOXYLATES AND THEIR USE AS HERBICIDES Dow AgroSciences LLC (US) 2019-11-20 EP disclosed
EP-3536692-A1 PYRAZOLOPYRIMIDINYL INHIBITORS OF UBIQUITIN-ACTIVATING ENZYME Millennium Pharmaceuticals, Inc. (US) 2019-09-11 EP disclosed
US-20190071457-A1 4-AMINO-6-(HETEROCYCLIC)PICOLINATES AND 6-AMINO-2-(HETEROCYCLIC)PYRIMIDINE-4-CARBOXYLATES AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC 2019-03-07 US disclosed
US-10202389-B2 Pyrazolopyrimidinyl inhibitors of ubiquitin-activating enzyme MILLENNIUM PHARMACEUTICALS, INC. (US) 2019-02-12 US disclosed
US-20170369499-A1 PYRAZOLOPYRIMIDINYL INHIBITORS OF UBIQUITIN-ACTIVATING ENZYME TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-12-28 US disclosed
US-9796725-B2 Pyrazolopyrimidinyl inhibitors of ubiquitin-activating enzyme MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-10-24 US disclosed
EP-1511747-B1 IMIDAZO-PYRIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME (GB) 2006-04-12 EP disclosed
EP-1628979-A1 DIAMINOPYRROLOQUINAZOLINES COMPOUNDS AS PROTEIN TYROSINE PHOSPHATASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2006-03-01 EP disclosed
US-20060040947-A1 Amino-heterocycles as vr-1 antagonists for treating pain MERCK SHARP & DOHME LTD. (GB) 2006-02-23 US disclosed
EP-1562934-A1 AMINO-HETEROCYCLES AS VR-1 ANTAGONISTS FOR TREATING PAIN MERCK SHARP & DOHME LTD. (GB) 2005-08-17 EP disclosed
US-20050165048-A1 Imidazo-pyridine derivatives as ligands for gaba receptors MERCK SHARP & DOHME LTD. (GB) 2005-07-28 US disclosed
EP-1511747-A1 IMIDAZO-PYRIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LTD. (GB) 2005-03-09 EP disclosed
WO-2004101568-A1 DIAMINOPYRROLOQUINAZOLINES COMPOUNDS AS PROTEIN TYROSINE PHOSPHATASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2004-11-25 WO disclosed
US-20040235872-A1 Diaminopyrroloquinazolines compounds as protein tyrosine phosphatase inhibitors BERTHEL STEVEN JOSEPH (US) 2004-11-25 US disclosed
WO-2004046133-A1 AMINO-HETEROCYCLES AS VR-1 ANTAGONISTS FOR TREATING PAIN MERCK SHARP & DOHME LIMITED (GB) 2004-06-03 WO disclosed
WO-2003099816-A1 IMIDAZO-PYRIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 2003-12-04 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 (7 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-20040235872-A1 Diaminopyrroloquinazolines compounds as protein tyrosine phosphatase inhibitors PTPN5, PPP5C, PTP4A2 CYP2A6 2732/4885HDAC4 3101/4885SLC6A2 1570/4885
US-10202389-B2 Pyrazolopyrimidinyl inhibitors of ubiquitin-activating enzyme UBA1, UBXN1, UBE2E1 CYP2A6 2852/4885HDAC4 1251/4885SLC6A2 4438/4885
US-20190071457-A1 4-AMINO-6-(HETEROCYCLIC)PICOLINATES AND 6-AMINO-2-(HETEROCYCLIC)PYRIMIDINE-4-CARBOXYLATES AND THEIR USE AS HERBICIDES DDT, DDC, P2RX6 CYP2A6 34/4885HDAC4 1218/4885SLC6A2 1369/4885
US-20050165048-A1 Imidazo-pyridine derivatives as ligands for gaba receptors GABRA3, GABRA2, GABRA5 CYP2A6 750/4885HDAC4 1404/4885SLC6A2 434/4885
US-20060040947-A1 Amino-heterocycles as vr-1 antagonists for treating pain OPRL1, CNR1, GPR6 CYP2A6 293/4885HDAC4 3355/4885SLC6A2 467/4885
US-20260085073-A1 PYRAZOLYLCARBOXAMIDE COMPOUNDS AND THEIR USE IN THERAPY MALT1, BCL6, BCL3 CYP2A6 707/4885HDAC4 2892/4885SLC6A2 4498/4885
US-20170369499-A1 PYRAZOLOPYRIMIDINYL INHIBITORS OF UBIQUITIN-ACTIVATING ENZYME USP1, UBA1, UBXN1 CYP2A6 2778/4885HDAC4 1228/4885SLC6A2 4425/4885

“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.