SCHEMBL10001003

SCHEMBL10001003

Cc1cncc(-c2cccc(C)n2)c1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 4/20 0.61
CCR1 P32246 1/20 0.54
CCR8 P51685 1/20 0.54
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 1/20 0.45
METAP2 P50579 1/20 0.43
TGFBR1 P36897 4/20 0.41
KARS1 Q15046 1/20 0.38
S1PR1 P21453 1/20 0.38
PIM1 P11309 1/20 0.38
PIM3 Q86V86 1/20 0.38
PIM2 Q9P1W9 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
SCHEMBL3422003 0.96 CYP2A6 (0.57) CYP2A6CCR1CCR8CYP11B1CYP11B2
SCHEMBL3423404 0.90 CYP11B1 (0.49) CYP2A6CCR1CCR8CYP11B1CYP11B2
SCHEMBL3421988 0.90 CYP2A6 (0.67) CYP2A6CCR1CCR8METAP2TGFBR1
SCHEMBL18174686 0.82 CYP2A6 (0.47) CYP2A6CCR1CCR8CYP11B1CYP11B2
SCHEMBL9290063 0.82 CYP2A6 (0.57) CYP2A6CCR1CCR8CYP11B1CYP11B2
SCHEMBL23922342 0.82 CYP11B2 (0.43) CYP2A6CYP11B1CYP11B2KARS1S1PR1
SCHEMBL28090003 0.82 CYP11B2 (0.43) CYP2A6CYP11B1CYP11B2METAP2KARS1
SCHEMBL14168736 0.80 CCR1 (0.62) CYP2A6CCR1CCR8METAP2TGFBR1
SCHEMBL26233967 0.80 CCR1 (0.62) CYP2A6CCR1CCR8METAP2TGFBR1
SCHEMBL15161053 0.79 CYP2A6 (0.47) CYP2A6CCR1CCR8CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230277586-A1 ACCELERATING REPAIR OF MUCOSAL INJURY USING GOLD(III) COMPOUNDS UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2023-09-07 US disclosed
US-20230265108-A1 GOLD(III) COMPOUNDS AND CANCER CELL-SELECTIVE MODULATION OF MITOCHONDRIAL RESPIRATION AND METABOLISM UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2023-08-24 US disclosed
WO-2022026757-A1 ACCELERATING REPAIR OF MUCOSAL INJURY USING GOLD(III) COMPOUNDS UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2022-02-03 WO disclosed
WO-2022026753-A1 GOLD(III) COMPOUNDS AND CANCER CELL-SELECTIVE MODULATION OF MITOCHONDRIAL RESPIRATION AND METABOLISM UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2022-02-03 WO disclosed
EP-2935281-B1 SPIROISOXAZOLINE COMPOUNDS HAVING AN ACTIVITY POTENTIATING THE ACTIVITY OF AN ANTIBIOTIC UNIVERSITÉ DE DROIT ET DE LA SANTÉ DE LILLE 2 (FR) 2020-09-09 EP disclosed
US-10355284-B2 Composition, method of preparing the composition, electrode including the composition, and fuel cell including the electrode SAMSUNG ELECTRONICS CO., LTD. (KR) 2019-07-16 US disclosed
US-20180182981-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2018-06-28 US disclosed
EP-2504871-B1 ORGANIC ELECTRONIC DEVICE COMPRISING AN ORGANIC SEMICONDUCTING MATERIAL NOVALED GMBH (DE) 2017-03-22 EP disclosed
US-8475686-B2 Bridged pyridoquinazoline or phenanthroline compounds and organic semiconducting material comprising that compound NOVALED AG (DE) 2013-07-02 US disclosed
US-8475686-B2 Bridged pyridoquinazoline or phenanthroline compounds and organic semiconducting material comprising that compound NOVALED AG (DE) 2013-07-02 US disclosed
US-20120283437-A1 Organic Electronic Device Comprising an Organic Semiconducting Material NOVALED AG (DE) 2012-11-08 US disclosed
US-20120283437-A1 Organic Electronic Device Comprising an Organic Semiconducting Material NOVALED AG (DE) 2012-11-08 US disclosed
US-20120012794-A1 Bridged Pyridoquinazoline or Phenanthroline Compounds and Organic Semiconducting Material Comprising That Compound NOVALED AG (DE) 2012-01-19 US disclosed
US-20120012794-A1 Bridged Pyridoquinazoline or Phenanthroline Compounds and Organic Semiconducting Material Comprising That Compound NOVALED AG (DE) 2012-01-19 US disclosed
WO-2011063927-A1 ORGANIC ELECTRONIC DEVICE COMPRISING AN ORGANIC SEMICONDUCTING MATERIAL NOVALED AG (DE) 2011-06-03 WO disclosed
WO-2010063461-A1 BRIDGED PYRIDOQUINAZOLINE OR PHENANTHROLINE COMPOUNDS AND ORGANIC SEMICONDUTING MATERIAL COMPRISING THAT COMPOUND NOVALED AG (DE) 2010-06-10 WO disclosed
EP-2194055-A1 Bridged pyridoquinazoline or phenanthroline compounds and organic semiconducting material comprising that compound Novaled AG (DE) 2010-06-09 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 (5 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-20120283437-A1 Organic Electronic Device Comprising an Organic Semiconducting Material OR10J3, OR51E2, ICMT CYP2A6 507/4885CCR1 2932/4885CCR8 3428/4885
US-20120012794-A1 Bridged Pyridoquinazoline or Phenanthroline Compounds and Organic Semiconducting Material Comprising That Compound PNPO, SDHB, PAH CYP2A6 1739/4885CCR1 3356/4885CCR8 3408/4885
US-20180182981-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES CACNA2D2, RABGGTA, NUDT1 CYP2A6 3350/4885CCR1 4473/4885CCR8 4434/4885
US-20230277586-A1 ACCELERATING REPAIR OF MUCOSAL INJURY USING GOLD(III) COMPOUNDS ARG2, COX5B, GSR CYP2A6 1811/4885CCR1 2937/4885CCR8 1915/4885
US-20230265108-A1 GOLD(III) COMPOUNDS AND CANCER CELL-SELECTIVE MODULATION OF MITOCHONDRIAL RESPIRATION AND METABOLISM CS, UQCRC1, UQCRC2 CYP2A6 461/4885CCR1 4308/4885CCR8 4538/4885

“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.