SCHEMBL3415089

SCHEMBL3415089

COc1cccc(-c2ncc(C)nc2C)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 1/20 0.53
CLK4 Q9HAZ1 2/20 0.50
DYRK1A Q13627 1/20 0.50
ADORA2A P29274 3/20 0.48
ADORA1 P30542 2/20 0.48
PDGFRB P09619 1/20 0.47
PDGFRA P16234 1/20 0.47
GAA P10253 1/20 0.46
PIK3CG P48736 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
DCUN1D1 Q96GG9 1/20 0.44
KDM4E B2RXH2 2/20 0.44
HSD17B10 Q99714 2/20 0.44
ADORA2B P29275 1/20 0.44
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL28627456 0.88 CLK4 (0.50) CLK4DYRK1AADORA2AADORA1PDGFRB
SCHEMBL3419221 0.83 JAK3 (0.50) JAK3DYRK1AADORA2AADORA1CYP1A2
SCHEMBL3212419 0.80 JAK3 (0.54) JAK3CLK4DYRK1AKDM4ENPC1
SCHEMBL7944851 0.79 DYRK1A (0.59) CLK4DYRK1AADORA2AADORA1GAA
SCHEMBL29476058 0.79 JAK3 (0.53) JAK3CLK4DYRK1AKDM4ENPC1
SCHEMBL28068098 0.79 JAK3 (0.53) JAK3CLK4DYRK1AKDM4ENPC1
SCHEMBL2515204 0.76 JAK3 (0.58) JAK3CLK4DYRK1AADORA2AADORA1
SCHEMBL28815572 0.76 ADORA2A (0.61) ADORA2AADORA1PIK3CGCYP1A2CYP3A4
SCHEMBL11887168 0.76 JAK3 (0.58) JAK3ADORA1PDGFRBPDGFRAGAA
SCHEMBL3335530 0.76 JAK3 (0.56) JAK3ADORA2AADORA1CYP1A2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8598785-B2 Organometallic complex, and light-emitting element, light-emitting device, electronic device, and lighting device using the organometallic complex SEMICONDUCTOR ENERGY LABORATORY CO., LTD (JP) 2013-12-03 US disclosed
US-20120280220-A1 Organometallic Complex, and Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device Using the Organometallic Complex SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2012-11-08 US disclosed
US-20120280220-A1 Organometallic Complex, and Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device Using the Organometallic Complex SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2012-11-08 US disclosed
US-20120280220-A1 Organometallic Complex, and Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device Using the Organometallic Complex SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2012-11-08 US disclosed
US-8227975-B2 Organometallic complex, and light-emitting element, light-emitting device, electronic device, and lighting device using the organometallic complex SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-07-24 US disclosed
US-8227975-B2 Organometallic complex, and light-emitting element, light-emitting device, electronic device, and lighting device using the organometallic complex SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-07-24 US disclosed
US-8227975-B2 Organometallic complex, and light-emitting element, light-emitting device, electronic device, and lighting device using the organometallic complex SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-07-24 US disclosed
US-20100181905-A1 Organometallic Complex, and Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device Using the Organometallic Complex SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2010-07-22 US disclosed
US-20100181905-A1 Organometallic Complex, and Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device Using the Organometallic Complex SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2010-07-22 US disclosed
US-20100181905-A1 Organometallic Complex, and Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device Using the Organometallic Complex SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2010-07-22 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-20100181905-A1 Organometallic Complex, and Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device Using the Organometallic Complex CCNE2, AP2M1, LAGE3 JAK3 2674/4885CLK4 2353/4885DYRK1A 4614/4885

“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.