SCHEMBL7940885

SCHEMBL7940885

NC1=NCNc2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 12/20 1.00
TSHR P16473 1/20 0.44
NOS3 P29474 2/20 0.42
HTR5A P47898 2/20 0.37
BCHE P06276 2/20 0.36
ACHE P22303 1/20 0.36
BRD4 O60885 1/20 0.33

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
Hydrochloric Acid SCHEMBL8382199 0.98 NOS2 (0.96) NOS2TSHRNOS3HTR5ABCHE
Ethane SCHEMBL27508158 0.93 NOS2 (0.86) NOS2TSHRNOS3HTR5ABCHE
SCHEMBL15650452 0.75 NOS2 (0.60) NOS2BCHEACHEBRD4
SCHEMBL13585229 0.72 NOS2 (0.56) NOS2
SCHEMBL2658675 0.72 NOS2 (0.56) NOS2TSHRHTR5A
SCHEMBL12718599 0.71 NOS2 (0.55) NOS2NOS3HTR5A
SCHEMBL27416904 0.71 NOS2 (0.55) NOS2
Methylamine SCHEMBL27663588 0.70 NOS2 (0.53) NOS2
SCHEMBL5220692 0.69 NOS2 (0.53) NOS2TSHR
SCHEMBL17735378 0.69 NOS2 (0.53) NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6248745-B1 MIXTURE COMPRISING A CYCLOOXYGENASE-2 (COX-2) INHIBITOR AND A 1,2-DIHYDRO-4-AMINOQUINAZOLINE DERIVATIVE INHIBITOR OF INDUCED NITRIC OXIDE SYNTHASE (INOS); NON-STEROIDAL ANTIINFLAMMATORY AGENTS ASTRAZENECA AB (SE) 2001-06-19 US claimed
US-9603848-B2 Modulation of chemosensory receptors and ligands associated therewith SENOMYX, INC. (US) 2017-03-28 US disclosed
WO-2015068773-A1 NITROGEN-CONTAINING SATURATED HETEROCYCLIC COMPOUND 石原産業株式会社 2015-05-14 WO disclosed
EP-2265613-B1 QUINAZOLINE LINKED PYRROLO[2,1-C][1, 4]BENZODIAZEPINE HYBRIDS AS POTENTIAL ANTICANCER AGENTS AND PROCESS FOR THE PREPARATION THEREOF COUNCIL SCIENT IND RES (IN) 2013-07-24 EP disclosed
US-7928111-B2 Compounds including substituted thienopyrimidinone derivatives as ligands for modulating chemosensory receptors SENOMYX, INC. (US) 2011-04-19 US disclosed
US-20080306053-A1 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH SENOMYX, INC. (US) 2008-12-11 US disclosed
US-20080306093-A1 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH SENOMYX, INC. (US) 2008-12-11 US disclosed
CN-1204327-A Pharmaceutically active quinazoline compounds ASTRA PHARMA PROD (GB) 1999-01-06 CN 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-20080306093-A1 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH OR51E2, TAS2R50, TAS2R30 NOS2 4603/4885TSHR 423/4885NOS3 4123/4885
US-20080306053-A1 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH OR51E2, TAS2R50, TAS2R30 NOS2 4603/4885TSHR 423/4885NOS3 4123/4885

“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.