SCHEMBL6965532

SCHEMBL6965532

Cc1nc(-c2ccsc2)c[nH]1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.48
CYP2A6 P11509 4/20 0.40
NPC1 O15118 2/20 0.39
AR P10275 1/20 0.39
ADORA2A P29274 3/20 0.38
ADORA3 P0DMS8 2/20 0.38
ADORA1 P30542 2/20 0.38
HRH4 Q9H3N8 1/20 0.38
ADORA2B P29275 1/20 0.38
DRD2 P14416 1/20 0.38
HTR6 P50406 1/20 0.38
KDM4E B2RXH2 1/20 0.37
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
CYP2E1 P05181 1/20 0.36
CYP2B6 P20813 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
SCHEMBL14333952 0.79 PDGFRB (0.46) PDGFRBCYP2A6NPC1ARADORA2A
SCHEMBL10168097 0.77 PDGFRB (0.45) PDGFRBCYP2A6NPC1ARADORA2A
SCHEMBL17983446 0.76 ENPP3 (0.36) PDGFRBNPC1ADORA2AADORA3ADORA1
SCHEMBL14511620 0.75 GSK3B (0.53) NPC1ARKDM4E
SCHEMBL14333881 0.74 CYP2A6 (0.50) PDGFRBCYP2A6NPC1ADORA2AADORA1
SCHEMBL10955177 0.74 PDGFRB (0.43) PDGFRBCYP2A6NPC1KDM4E
SCHEMBL7100910 0.73 GSK3B (0.41) PDGFRBCYP2A6KDM4ECYP2E1CYP2B6
SCHEMBL1008901 0.72 MEN1 (0.46) PDGFRBNPC1ADORA2AADORA3ADORA1
SCHEMBL8250696 0.72 METAP2 (0.44) NPC1ADORA3KDM4E
SCHEMBL32662992 0.72 PDGFRB (0.43) PDGFRBNPC1ADORA2AADORA3ADORA1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9024018-B2 3-substituted-8-substituted-3H-imidazo[5,1-d][1,2,3,5]tetrazin-4-one compounds and their use PHARMINOX LIMITED (GB) 2015-05-05 US disclosed
US-20120083513-A1 3-Substituted-8-Substituted-3H-Imidazo[5,1-d][1,2,3,5]tetrazin-4-one Compounds and Their Use PHARMINOX LIMITED (GB) 2012-04-05 US disclosed
EP-0954521-B1 4- (THIEN-3-YL)METHYL] IMIDAZOLE DERIVATIVES HAVING ALPHA2-ADRENOCEPTOR AGONISTIC ACTIVITY ORTHO MCNEIL PHARM INC (US) 2003-05-14 EP disclosed
US-6465486-B1 ALPHA2 ADRENOCEPTOR MODULATORS; HYPERTENSION, GLAUCOMA, SEXUAL DYSFUNCTION, DEPRESSION, ATTENTION DEFICIT HYPERACTIVITY DISORDER, PARKINSONISM, NEED FOR ANESTHESIA, CARDIAC ARRYTHMIA ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-10-15 US disclosed
US-6426356-B1 ANALGESICS; HYPOTENSIVE AGENTS; ANTIDEPRESSANTS ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-07-30 US disclosed
US-20020025974-A1 BICYCLE THIOPHENES AND THIAZOLES ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-02-28 US disclosed
US-6313309-B1 BENZOTHIOPHENYL-1H-IMIDAZOLE ANALGESICS; HYPOTENSIVE AGENTS, ANTIDEPRESSANTS; SEXUAL, ATTENTION DEFICIT, AND HYPERACTIVE DISORDERS; DELTA-OPIOD RECEPTOR AGONISTS ORTHO-MCNEIL PHARMACEUTICAL, INC. 2001-11-06 US disclosed
EP-0889891-B1 4-[(THIEN-2-YL)METHYL]IMIDAZOLE DERIVATIVES HAVING ALPHA2-ADRENOCEPTOR AGONISTIC ACTIVITY ORTHO MCNEIL PHARM INC (US) 2001-06-06 EP disclosed
EP-0954521-A1 4- (THIEN-3-YL)METHYL] IMIDAZOLE DERIVATIVES HAVING ALPHA2-ADRENOCEPTOR AGONISTIC ACTIVITY Ortho-McNeil Pharmaceutical, Inc. (US) 1999-11-10 EP disclosed
WO-1999051593-A1 4-THIONAPHTHYL-1H-IMIDAZOLES WITH ALPHA-2-ADRENERGIC ACTIVITY ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 1999-10-14 WO disclosed
EP-0889891-A1 4-[(THIEN-2-YL)METHYL]IMIDAZOLE DERIVATIVES HAVING ALPHA2-ADRENOCEPTOR AGONISTIC ACTIVITY ORTHO PHARMACEUTICAL CORPORATION (US) 1999-01-13 EP disclosed
US-5750720-A ALPHA-ADRENORECEPTORS AND CENTRAL NERVOUS SYSTEMS ORTHO PHARMACEUTICAL CORPORATION (US) 1998-05-12 US disclosed
WO-1997035858-A1 4-[(THIEN-3-YL)METHYL] IMIDAZOLE DERIVATIVES HAVING α2-ADRENOCEPTOR AGONISTIC ACTIVITY ORTHO PHARMACEUTICAL CORPORATION (US) 1997-10-02 WO disclosed
WO-1997035857-A1 4-[(THIEN-2-YL)METHYL]IMIDAZOLE DERIVATIVES HAVING ALPHA2-ADRENOCEPTOR AGONISTIC ACTIVITY ORTHO PHARMACEUTICAL CORPORATION (US) 1997-10-02 WO disclosed
US-5621113-A ALPHA 2 ADRENOCEPTOR AGONISTS ORTHO PHARMACEUTICAL CORPORATION (US) 1997-04-15 US 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-20120083513-A1 3-Substituted-8-Substituted-3H-Imidazo[5,1-d][1,2,3,5]tetrazin-4-one Compounds and Their Use MKI67, CCNA1, CCNI PDGFRB 516/4885CYP2A6 733/4885NPC1 496/4885
US-20020025974-A1 BICYCLE THIOPHENES AND THIAZOLES ADRB1, ADRA1D, ADRA2C PDGFRB 2220/4885CYP2A6 537/4885NPC1 1198/4885

“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.