SCHEMBL17264307

SCHEMBL17264307

c1cnc2c(c1)Cc1cncnc1-2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 4/20 0.41
GABRB3 P28472 4/20 0.41
GABRA5 P31644 4/20 0.41
CYP2A6 P11509 3/20 0.38
MAPK9 P45984 1/20 0.34
MAPK10 P53779 1/20 0.34
CYP11B1 P15538 3/20 0.33
CYP11B2 P19099 3/20 0.33
TDP1 Q9NUW8 2/20 0.32
TDP2 O95551 1/20 0.32
NSD2 O96028 1/20 0.32
ABL1 P00519 1/20 0.32
PLCG1 P19174 1/20 0.32
CES1 P23141 1/20 0.32
PAX8 Q06710 1/20 0.32
RIN1 Q13671 1/20 0.32
MEN1 O00255 1/20 0.32
THRB P10828 1/20 0.32
BLM P54132 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL595017 0.85 HRH1 (0.40) GABRG2GABRB3GABRA5CYP2A6CYP11B1
SCHEMBL577689 0.83 TDP1 (0.42) CYP2A6TDP1TDP2NSD2ABL1
SCHEMBL12009181 0.83 GABRG2 (0.42) GABRG2GABRB3GABRA5MAPK9MAPK10
SCHEMBL11829286 0.77 GABRG2 (0.55) GABRG2GABRB3GABRA5MAPK9MAPK10
SCHEMBL29493616 0.77 GABRG2 (0.55) GABRG2GABRB3GABRA5MAPK9MAPK10
SCHEMBL9261195 0.76 CYP2A6 (0.41) CYP2A6CYP11B1CYP11B2TDP1TDP2
SCHEMBL22891154 0.74 GABRG2 (0.52) GABRG2GABRB3GABRA5MAPK9MEN1
SCHEMBL17264309 0.73 GABRG2 (0.44) GABRG2GABRB3GABRA5MAPK9MAPK10
SCHEMBL9263914 0.72 CYP2A6 (0.41) CYP2A6CYP11B1CYP11B2TDP1TDP2
SCHEMBL10000620 0.72 CYP2A6 (0.45) CYP2A6

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-9850253-B2 Condensed cyclic compound and organic light emitting device including the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2017-12-26 US disclosed
US-20150333271-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2015-11-19 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-20150333271-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE INCLUDING THE SAME CRY1, CCNT1, CCNA1 GABRG2 4039/4885GABRB3 4010/4885GABRA5 4334/4885

“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.