SCHEMBL6972758

SCHEMBL6972758

N#Cc1ccc(-c2cnc(-c3ccccc3)c(-c3ccccc3)n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.51
GABRG2 P18507 1/20 0.51
GABRB3 P28472 1/20 0.51
GABRA5 P31644 1/20 0.51
GABRA3 P34903 1/20 0.51
ATR Q13535 4/20 0.51
ALDH1A3 P47895 1/20 0.48
PARP1 P09874 1/20 0.46
PARP2 Q9UGN5 1/20 0.46
KDM1A O60341 2/20 0.45
MAPK13 O15264 1/20 0.45
RAF1 P04049 1/20 0.45
MAPK12 P53778 1/20 0.45
MAPK11 Q15759 1/20 0.45
MAPK14 Q16539 1/20 0.45
MYC P01106 1/20 0.45
CYP11B2 P19099 1/20 0.44
KDM4E B2RXH2 2/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 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
SCHEMBL385924 0.84 ATR (0.62) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL16750246 0.84 CKS1B (0.52) ATRKDM4ELMNASMN1; SMN2ADORA2A
SCHEMBL87574 0.84 CKS1B (0.55) ATRKDM4ESMN1; SMN2CKS1BSKP1
SCHEMBL28243355 0.82 CKS1B (0.53) ATRKDM4ESMN1; SMN2CKS1BSKP1
SCHEMBL29406280 0.82 CKS1B (0.53) ATRKDM4ESMN1; SMN2CKS1BSKP1
SCHEMBL27816089 0.82 CKS1B (0.53) ATRKDM4ESMN1; SMN2CKS1BSKP1
SCHEMBL23542929 0.81 GABRA1 (0.52) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL23607308 0.81 ALDH1A3 (0.57) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL23234338 0.81 ALDH1A3 (0.57) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL23234347 0.81 ALDH1A3 (0.57) GABRA1GABRG2GABRB3GABRA5GABRA3

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
US-8329903-B2 Light-emitting element including organometallic complex including pyrazine derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-12-11 US disclosed
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-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-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
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 GABRA1 3384/4885GABRG2 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 GABRA1 3384/4885GABRG2 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.