SCHEMBL3267344

SCHEMBL3267344

N#CC(c1ccc2ccccc2n1)c1ccc2ccccc2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 3/20 0.43
CYP1A2 P05177 2/20 0.43
NOS2 P35228 1/20 0.43
BACE1 P56817 1/20 0.43
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43
ALDH1A1 P00352 5/20 0.42
HSD17B10 Q99714 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
HTT P42858 2/20 0.42
POLB P06746 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
ATM Q13315 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MAPK9 P45984 4/20 0.40
MAPK10 P53779 4/20 0.40
GLA P06280 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL7995244 0.89 ALDH1A1 (0.51) NCF1CYP1A2NOS2BACE1CA12
SCHEMBL26512422 0.86 NCF1 (0.42) NCF1CYP1A2NOS2BACE1CA12
SCHEMBL8035416 0.84 L3MBTL1 (0.45) CYP1A2ALDH1A1HSD17B10L3MBTL1HTT
SCHEMBL10578784 0.83 L3MBTL1 (0.44) CYP1A2ALDH1A1HSD17B10L3MBTL1HTT
SCHEMBL11251120 0.82 NCF1 (0.40) NCF1CYP1A2NOS2BACE1CA12
SCHEMBL8044865 0.82 RAB9A (0.44) CYP1A2ALDH1A1HSD17B10L3MBTL1HTT
SCHEMBL6262643 0.81 MAPK10 (0.66) CYP1A2ALDH1A1HSD17B10HTTCYP2C9
SCHEMBL10418227 0.79 ALDH1A1 (0.38) NCF1CYP1A2NOS2BACE1ALDH1A1
SCHEMBL8035078 0.79 GAA (0.64) CYP1A2ALDH1A1L3MBTL1HTTPOLB
SCHEMBL6663983 0.78 ALDH1A1 (0.43) NCF1CYP1A2NOS2BACE1CA12

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
EP-1341242-B1 Dopant comprising boron for an OLED GLOBAL OLED TECHNOLOGY LLC (US) 2010-06-02 EP disclosed
US-7329466-B2 Organic element for electroluminescent devices EASTMAN KODAK COMPANY (US) 2008-02-12 US disclosed
US-20060210829-A9 Organic element for electroluminescent devices EASTMAN KODAK COMPANY 2006-09-21 US disclosed
WO-2005076385-A1 A BIS(AZINYL) METHENE BORON COMPLEX USED AS AN EMISSIVE DOPANT IN AN ORGANIC LIGHT EMITTING DEVICE EASTMAN KODAK COMPANY (US) 2005-08-18 WO disclosed
US-20050170204-A1 Organic element for electroluminescent devices EASTMAN KODAK COMPANY 2005-08-04 US disclosed
US-6824893-B2 LIGHT-EMITTING LAYER CONTAINS 2-TERT-BUTYL-9,10-DI(2-NAPHTHYL)ANTHRACENE AS HOST AND DOPANT COMPRISING BIS(AZINYL)METHENE BORON COMPLEX EASTMAN KODAK COMPANY 2004-11-30 US disclosed
US-20030198829-A1 Organic element for electroluminescent devices EASTMAN KODAK COMPANY 2003-10-23 US disclosed
EP-1341242-A2 Dopant comprising boron for an OLED EASTMAN KODAK COMPANY (US) 2003-09-03 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 (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-20060210829-A9 Organic element for electroluminescent devices EED, JUND, OCIAD2 NCF1 3135/4885CYP1A2 1145/4885NOS2 540/4885
US-20050170204-A1 Organic element for electroluminescent devices EED, JUND, OCIAD2 NCF1 3135/4885CYP1A2 1145/4885NOS2 540/4885

“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.