SCHEMBL469192

SCHEMBL469192

c1ccc(-c2ccc3c(n2)[nH]c2ccccc23)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA5A P35218 1/20 0.59
MAPT P10636 13/20 0.55
FEN1 P39748 1/20 0.51
ALDH1A1 P00352 4/20 0.49
HSD17B10 Q99714 3/20 0.49
POLB P06746 3/20 0.49
KDM4E B2RXH2 2/20 0.49
HPGD P15428 2/20 0.49
TSHR P16473 2/20 0.49
LMNA P02545 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
GPR3 P46089 1/20 0.45
GAA P10253 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.43
CASP1 P29466 1/20 0.43

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
SCHEMBL31463339 1.00 CA5A (0.59) CA5AMAPTFEN1ALDH1A1HSD17B10
SCHEMBL678777 0.87 CA5A (0.53) CA5AMAPTKDM4EHPGDGAA
SCHEMBL22268360 0.85 CA5A (0.54) CA5AMAPTALDH1A1HSD17B10GPR3
SCHEMBL675279 0.83 MAPT (0.50) CA5AMAPTFEN1
SCHEMBL675283 0.83 KDM4E (0.50) CA5AMAPTALDH1A1HSD17B10POLB
SCHEMBL22971581 0.82 MAPT (0.83) MAPT
SCHEMBL25694432 0.81 MAPT (0.49) CA5AMAPT
SCHEMBL675828 0.78 IDO1 (0.56) MAPTALDH1A1POLBCYP1A2CYP3A4
SCHEMBL19270251 0.78 CA5A (0.47) CA5AMAPTALDH1A1KDM4EHPGD
SCHEMBL674445 0.77 CA5A (0.53) CA5AMAPTALDH1A1HSD17B10POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3375785-B1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2020-08-05 EP disclosed
US-10256420-B2 Organometallic complex, light-emitting element, light-emitting device, electronic device, and lighting device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2019-04-09 US disclosed
US-10256420-B2 Organometallic complex, light-emitting element, light-emitting device, electronic device, and lighting device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2019-04-09 US disclosed
US-10193079-B2 Materials for electronic devices MERCK PATENT GMBH (DE) 2019-01-29 US disclosed
EP-2976329-B1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2018-06-27 EP disclosed
US-20170062738-A1 Organometallic Complex, Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2017-03-02 US disclosed
US-20170062738-A1 Organometallic Complex, Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2017-03-02 US disclosed
US-20160072076-A1 MATERIALS FOR ELECTRONIC DEVICES UDC IRELAND LIMITED (IE) 2016-03-10 US disclosed
US-20160072076-A1 MATERIALS FOR ELECTRONIC DEVICES UDC IRELAND LIMITED (IE) 2016-03-10 US disclosed
WO-2014146752-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2014-09-25 WO disclosed
US-20120061654-A1 METAL COMPLEX COMPRISING NOVEL LIGAND STRUCTURES UNIVERSAL DISPLAY CORPORATION (US) 2012-03-15 US disclosed
US-20110281862-A1 ALFA-CARBOLINE INHIBITORS OF NPM-ALK, RET, AND BCR-ABL UNIVERSITA' DEGLI STUDI DI MILANO - BICOCCA (IT) 2011-11-17 US disclosed
WO-2010025872-A2 ALFA-CARBOLINE INHIBITORS OF NPM-ALK, RET, AND BCR-ABL UNIVERSITA' DEGLI STUDI DI MILANO-BICOCCA (IT) 2010-03-11 WO disclosed
EP-2161271-A1 Alpha-carboline inhibitors of NMP-ALK, RET, and Bcr-Abl Università Degli Studi Di Milano - Bicocca (IT) 2010-03-10 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 (6 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-20160072076-A1 MATERIALS FOR ELECTRONIC DEVICES AOC3, AOC2, AOC1 CA5A 3465/4885MAPT 3178/4885FEN1 1680/4885
US-20110281862-A1 ALFA-CARBOLINE INHIBITORS OF NPM-ALK, RET, AND BCR-ABL ALK, BCR, NPM1 CA5A 1904/4885MAPT 1494/4885FEN1 4047/4885
US-20170062738-A1 Organometallic Complex, Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device PPOX, LAGE3, PDCD1LG2 CA5A 3485/4885MAPT 2280/4885FEN1 123/4885
US-20120061654-A1 METAL COMPLEX COMPRISING NOVEL LIGAND STRUCTURES ZFX, VDAC1, PDCD1LG2 CA5A 1563/4885MAPT 2467/4885FEN1 1297/4885
US-10256420-B2 Organometallic complex, light-emitting element, light-emitting device, electronic device, and lighting device PPOX, LAGE3, PDCD1LG2 CA5A 3485/4885MAPT 2280/4885FEN1 123/4885
US-10193079-B2 Materials for electronic devices AOC3, AOC2, AOC1 CA5A 3465/4885MAPT 3178/4885FEN1 1680/4885

“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.