SCHEMBL2623741

SCHEMBL2623741

c1ccc2c(c1)ncn2C1=NC2=NC(n3cnc4ccccc43)=NC3=NC(n4cnc5ccccc54)=NC(=N1)N23

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.58
POLB P06746 1/20 0.53
FGFR1 P11362 4/20 0.51
ROCK1 Q13464 1/20 0.46
MKNK1 Q9BUB5 1/20 0.46
MKNK2 Q9HBH9 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL16838152 0.77 HTT (0.58) HTTPOLBFGFR1
SCHEMBL3417306 0.75 HTT (0.73) HTTPOLBFGFR1ROCK1MKNK1
SCHEMBL3419279 0.75 HTT (0.88) HTTPOLBFGFR1
SCHEMBL30402227 0.75 HTT (0.88) HTTPOLBFGFR1
SCHEMBL9464658 0.74 HTT (0.55) HTTPOLBFGFR1ROCK1MKNK1
SCHEMBL13052913 0.74 HTT (0.77) HTTPOLBFGFR1
SCHEMBL157265 0.74 HTT (1.00) HTTFGFR1
SCHEMBL9025863 0.74 PIK3CB (0.68) HTTPOLBFGFR1ROCK1MKNK1
Benzene SCHEMBL14876970 0.74 HTT (1.00) HTTFGFR1
SCHEMBL13196562 0.73 HTT (0.58) HTTPOLBFGFR1ROCK1MKNK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9066410-B2 Organic electronic device MERCK PATENT GMBH (DE) 2015-06-23 US disclosed
US-9066410-B2 Organic electronic device MERCK PATENT GMBH (DE) 2015-06-23 US disclosed
US-20120091884-A1 HEPTAAZAPHENALENE DERIVATIVES AND USE THEREOF IN ORGANIC ELECTROLUMINESCENT DEVICE COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AT) 2012-04-19 US disclosed
US-20120091884-A1 HEPTAAZAPHENALENE DERIVATIVES AND USE THEREOF IN ORGANIC ELECTROLUMINESCENT DEVICE COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AT) 2012-04-19 US disclosed
WO-2010132953-A1 HEPTAAZAPHENALENE DERIVATIVES AND USE THEREOF IN ORGANIC ELECTROLUMINESCENT DEVICE COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2010-11-25 WO 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-20120091884-A1 HEPTAAZAPHENALENE DERIVATIVES AND USE THEREOF IN ORGANIC ELECTROLUMINESCENT DEVICE HSD17B2, CYP1A2, HSD17B1 HTT 2018/4885POLB 3679/4885FGFR1 1628/4885

“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.