SCHEMBL6983950

SCHEMBL6983950

N#Cc1ccccc1-c1cnc(-c2ccccc2)c(-c2ccccc2)n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATR Q13535 6/20 0.61
GABRG2 P18507 1/20 0.49
GABRB3 P28472 1/20 0.49
GABRA5 P31644 1/20 0.49
GABRA3 P34903 1/20 0.49
ADORA2A P29274 1/20 0.49
ADORA1 P30542 1/20 0.49
PRKDC P78527 1/20 0.47
ATM Q13315 1/20 0.47
KDR P35968 3/20 0.44
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
HTT P42858 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
LMNA P02545 1/20 0.44
THRB P10828 1/20 0.44
CKS1B P61024 1/20 0.41
SKP1 P63208 1/20 0.41
SKP2 Q13309 1/20 0.41
ALOX5AP P20292 1/20 0.41

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
SCHEMBL16750251 0.80 ATR (0.54) ATRADORA2AADORA1HTTLMNA
SCHEMBL19820819 0.77 CKS1B (0.57) ATRADORA2AADORA1ALDH1A1KDM4E
SCHEMBL13137930 0.76 ATR (1.00) ATR
SCHEMBL6972758 0.76 GABRA1 (0.51) ATRGABRG2GABRB3GABRA5GABRA3
SCHEMBL31273715 0.76 GABRG2 (0.50) ATRGABRG2GABRB3GABRA5GABRA3
SCHEMBL31663536 0.76 GABRG2 (0.50) ATRGABRG2GABRB3GABRA5GABRA3
SCHEMBL28148511 0.76 ALDH1A1 (0.51) ATRGABRG2GABRB3GABRA5GABRA3
SCHEMBL16750238 0.76 CKS1B (0.49) ATRPRKDCATMKDRALDH1A1
SCHEMBL87574 0.75 CKS1B (0.55) ATRKDRALDH1A1KDM4ECKS1B
SCHEMBL385924 0.74 ATR (0.62) ATRGABRG2GABRB3GABRA5GABRA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8329903-B2 Light-emitting element including organometallic complex including pyrazine derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-12-11 US disclosed
US-20120123117-A1 Organometallic Complex, and Light-Emitting Element, Light-Emitting Device, and Electronic Device Including the Organometallic Complex SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2012-05-17 US disclosed
US-8101755-B2 Organometallic complex including pyrazine derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-01-24 US disclosed
US-20100105902-A1 Organometallic Complex, and Light-Emitting Element, Light-Emitting Device, and Electronic Device Including the Organometallic Complex SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2010-04-29 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-20100105902-A1 Organometallic Complex, and Light-Emitting Element, Light-Emitting Device, and Electronic Device Including the Organometallic Complex CRY1, CRY2, LAGE3 ATR 2192/4885GABRG2 2846/4885GABRB3 4162/4885
US-20120123117-A1 Organometallic Complex, and Light-Emitting Element, Light-Emitting Device, and Electronic Device Including the Organometallic Complex CRY1, CRY2, LAGE3 ATR 2192/4885GABRG2 2846/4885GABRB3 4162/4885

“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.