SCHEMBL10036862

SCHEMBL10036862

c1cc2c3c(cccc3c1)-c1nc(-c3ccnc4ccccc34)ccc1-2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.44
IDO1 P14902 1/20 0.43
TGFBR1 P36897 9/20 0.41
MAPK14 Q16539 3/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPK1 P28482 2/20 0.40
HSD17B10 Q99714 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
ATR Q13535 1/20 0.39
ESR1 P03372 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
PTK2B Q14289 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
AAK1 Q2M2I8 2/20 0.38
ACVR1 Q04771 2/20 0.38
BMPR1B O00238 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
SCHEMBL10036859 0.93 FTO (0.43) CYP1A2IDO1ALDH1A1KDM4EATR
SCHEMBL10036858 0.80 MAOA (0.44) CYP1A2TGFBR1NPC1RAB9AALDH1A1
SCHEMBL10036864 0.76 ALDH1A1 (0.45) CYP1A2NPC1RAB9AALDH1A1MAPK1
SCHEMBL5480864 0.76 CYP1A2 (0.58) CYP1A2TGFBR1MAPK14NPC1RAB9A
SCHEMBL23347077 0.75 CYP1A2 (0.48) CYP1A2IDO1TGFBR1MAPK14NPC1
SCHEMBL12269142 0.75 CYP1A2 (0.48) CYP1A2IDO1TGFBR1MAPK14NPC1
SCHEMBL14461196 0.75 CYP1A2 (0.57) CYP1A2IDO1TGFBR1MAPK14NPC1
SCHEMBL405626 0.75 KDM4E (0.58) CYP1A2IDO1TGFBR1NPC1RAB9A
SCHEMBL10036863 0.74 CNR1 (0.44) CYP1A2ALDH1A1MAPK1HSD17B10KDM4E
SCHEMBL10036866 0.74 TNF (0.50) CYP1A2ALDH1A1MAPK1HSD17B10KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8101759-B2 Acenaphthopyridine derivative, material of light-emitting element, light-emitting element, light-emitting device, and electronic appliance SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-01-24 US disclosed
US-8101759-B2 Acenaphthopyridine derivative, material of light-emitting element, light-emitting element, light-emitting device, and electronic appliance SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-01-24 US disclosed
WO-2009119869-A1 ACENAPHTHOPYRIDINE DERIVATIVE, MATERIAL OF LIGHT-EMITTING ELEMENT, LIGHT-EMITTING ELEMENT, LIGHT-EMITTING DEVICE, AND ELECTRONIC APPLIANCE SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2009-10-01 WO disclosed
US-20090247753-A1 Acenaphthopyridine Derivative, Material of Light-Emitting Element, Light-Emitting Element, Light-Emitting Device, and Electronic Appliance SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2009-10-01 US disclosed
US-20090247753-A1 Acenaphthopyridine Derivative, Material of Light-Emitting Element, Light-Emitting Element, Light-Emitting Device, and Electronic Appliance SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2009-10-01 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 (1 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-20090247753-A1 Acenaphthopyridine Derivative, Material of Light-Emitting Element, Light-Emitting Element, Light-Emitting Device, and Electronic Appliance ACE, HRH2, ATP6AP1 CYP1A2 27/4885IDO1 2663/4885TGFBR1 1712/4885

“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.