SCHEMBL3194702

SCHEMBL3194702

c1cncc(-c2cccc(-c3cccnc3)n2)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 7/20 0.74
CYP19A1 P11511 4/20 0.64
ALDH1A1 P00352 3/20 0.64
CYP3A4 P08684 3/20 0.64
CYP1A2 P05177 2/20 0.64
HSP90AA1 P07900 1/20 0.60
HSP90AB1 P08238 1/20 0.60
PTK2 Q05397 1/20 0.60
AXL P30530 1/20 0.55
PBRM1 Q86U86 1/20 0.55
MKNK1 Q9BUB5 1/20 0.55
MKNK2 Q9HBH9 1/20 0.55
RAB9A P51151 2/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
KDM4E B2RXH2 1/20 0.54
LMNA P02545 1/20 0.54
TP53 P04637 1/20 0.54
MAPT P10636 1/20 0.54
HPGD P15428 1/20 0.54

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
SCHEMBL18905222 0.94 CYP19A1 (0.69) CYP2A6CYP19A1ALDH1A1CYP3A4CYP1A2
SCHEMBL12925581 0.94 CYP2A6 (0.67) CYP2A6CYP19A1ALDH1A1CYP3A4CYP1A2
SCHEMBL14297284 0.92 CYP2A6 (0.65) CYP2A6CYP19A1ALDH1A1CYP3A4CYP1A2
SCHEMBL10031168 0.92 CYP2A6 (0.65) CYP2A6CYP19A1ALDH1A1CYP3A4CYP1A2
SCHEMBL12925672 0.90 CYP19A1 (0.65) CYP2A6CYP19A1ALDH1A1CYP3A4CYP1A2
SCHEMBL10031170 0.90 CYP19A1 (0.65) CYP2A6CYP19A1ALDH1A1CYP3A4CYP1A2
SCHEMBL12925631 0.90 CYP2A6 (0.62) CYP2A6CYP19A1ALDH1A1CYP3A4CYP1A2
SCHEMBL13989135 0.88 CYP2A6 (0.62) CYP2A6CYP19A1ALDH1A1CYP3A4CYP1A2
SCHEMBL9973774 0.88 CYP2A6 (0.61) CYP2A6CYP19A1ALDH1A1CYP3A4CYP1A2
SCHEMBL12925590 0.88 CYP19A1 (0.68) CYP2A6CYP19A1ALDH1A1CYP3A4CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7679082-B2 Multi-functional copolymers comprising rare earth metal complexes and devices thereof NATIONAL UNIVERSITY OF SINGAPORE (SG) 2010-03-16 US claimed
US-20070290199-A1 Multi-Functional Copolymers Comprising Rare Earth Metal Complexes and Devices Thereof NATIONAL UNIVERSITY OF SINGAPORE (SG) 2007-12-20 US claimed
WO-2006052222-A2 MULTI-FUNCTIONAL COPOLYMERS COMPRISING RARE EARTH METAL COMPLEXES AND DEVICES THEREOF NATIONAL UNIVERSITY OF SINGAPORE (SG) 2006-05-18 WO claimed
WO-2023167278-A1 LIGHT-EMITTING MATERIAL, OXYGEN SENSOR, AND COATING MATERIAL 国立大学法人北海道大学 2023-09-07 WO disclosed
US-20220202326-A1 ANALYTE SENSORS WITH METAL-CONTAINING REDOX MEDIATORS AND METHODS OF USING THE SAME ABBOTT DIABETES CARE INC. (US) 2022-06-30 US disclosed
EP-2581365-B1 Heterocyclic compound, organic light-emitting diode comprising the heterocyclic compound, and flat panel display device comprising the organic light-emitting diode SAMSUNG DISPLAY CO LTD (KR) 2019-10-16 EP disclosed
WO-2016116530-A1 COMPOSITIONS, IN PARTICULAR FOR USE IN OPTOELECTRONIC COMPONENTS CYNORA GMBH (DE) 2016-07-28 WO disclosed
WO-2016116486-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC COMPONENTS CYNORA GMBH (DE) 2016-07-28 WO disclosed
WO-2016116528-A1 SYMMETRICAL ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC COMPONENTS CYNORA GMBH (DE) 2016-07-28 WO disclosed
WO-2016116520-A1 PHENYLETHER-SUBSTITUTED ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC COMPONENTS CYNORA GMBH (DE) 2016-07-28 WO disclosed
WO-2016116523-A1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC COMPONENTS CYNORA GMBH (DE) 2016-07-28 WO disclosed
WO-2016116525-A1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC COMPONENTS CYNORA GMBH (DE) 2016-07-28 WO disclosed
WO-2016116487-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC COMPONENTS CYNORA GMBH (DE) 2016-07-28 WO disclosed
EP-3048155-A1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC COMPONENTS cynora GmbH (DE) 2016-07-27 EP disclosed
EP-3048156-A1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC COMPONENTS cynora GmbH (DE) 2016-07-27 EP disclosed
US-20100213443-A1 Oled devices BATTELLE MEMORIAL INSTITUTE 2010-08-26 US disclosed
US-7679082-B2 Multi-functional copolymers comprising rare earth metal complexes and devices thereof NATIONAL UNIVERSITY OF SINGAPORE (SG) 2010-03-16 US disclosed
US-20070290199-A1 Multi-Functional Copolymers Comprising Rare Earth Metal Complexes and Devices Thereof NATIONAL UNIVERSITY OF SINGAPORE (SG) 2007-12-20 US disclosed
WO-2006052222-A2 MULTI-FUNCTIONAL COPOLYMERS COMPRISING RARE EARTH METAL COMPLEXES AND DEVICES THEREOF NATIONAL UNIVERSITY OF SINGAPORE (SG) 2006-05-18 WO disclosed
US-4171444-A REACTING A (HETERO-)AROMATIC KETONE, AMMONIA, AND AN ALIPHATIC ALDEHYDE, DEHYDRATING-DEHYDROGENATION CATALYSTS DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DE) 1979-10-16 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-20070290199-A1 Multi-Functional Copolymers Comprising Rare Earth Metal Complexes and Devices Thereof ZRANB2, BAZ1A, BAZ2B CYP2A6 3545/4885CYP19A1 1980/4885ALDH1A1 1961/4885
US-20220202326-A1 ANALYTE SENSORS WITH METAL-CONTAINING REDOX MEDIATORS AND METHODS OF USING THE SAME GPX4, LPO, PRDX3 CYP2A6 1699/4885CYP19A1 1581/4885ALDH1A1 623/4885

“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.