SCHEMBL16606384

SCHEMBL16606384

Cc1cc(-c2ccncc2)nc(C)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 6/20 0.49
MAPT P10636 3/20 0.42
KMT2A Q03164 3/20 0.42
KDM4E B2RXH2 2/20 0.42
LMNA P02545 2/20 0.42
MEN1 O00255 2/20 0.42
ALDH1A1 P00352 1/20 0.42
RECQL P46063 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
DYRK1A Q13627 1/20 0.42
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PDE10A Q9Y233 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
CYP3A4 P08684 1/20 0.38
ADORA2A P29274 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
SCHEMBL11978703 0.89 GSK3B (0.53) GSK3BMAPTKMT2AKDM4ELMNA
SCHEMBL19164446 0.85 GSK3B (0.50) GSK3BMAPTKMT2AKDM4ELMNA
SCHEMBL17694972 0.85 GSK3B (0.50) GSK3BMAPTKMT2AKDM4ELMNA
SCHEMBL13443221 0.83 ABCG2 (0.49) GSK3BMAPTKMT2AKDM4ELMNA
SCHEMBL16376438 0.82 KMT2A (0.57) GSK3BMAPTKMT2AKDM4ELMNA
SCHEMBL19417223 0.82 KDM4E (0.56) GSK3BMAPTKMT2AKDM4ELMNA
SCHEMBL28255856 0.81 KDM4E (0.49) MAPTKMT2AKDM4ELMNAMEN1
SCHEMBL14970094 0.81 TSHR (0.56) MAPTKMT2AKDM4ELMNAMEN1
SCHEMBL10685624 0.80 GSK3B (0.46) GSK3BMAPTKMT2AKDM4ELMNA
SCHEMBL19164375 0.80 ABCG2 (0.47) GSK3BMAPTKMT2AKDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10032985-B2 Condensed cyclic compound and organic light-emitting device including the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2018-07-24 US disclosed
US-20150090968-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2015-04-02 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-10032985-B2 Condensed cyclic compound and organic light-emitting device including the same CCNT1, CCNA1, CRY1 GSK3B 3261/4885MAPT 1991/4885KMT2A 3111/4885

“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.