SCHEMBL2632428

SCHEMBL2632428

FC(F)(F)c1ccc(N(C2=NC3=NC(N(c4ccccc4)c4ccc(C(F)(F)F)cc4)=NC4=NC(N(c5ccccc5)c5ccc(C(F)(F)F)cc5)=NC(=N2)N34)c2ccccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 11/20 0.40
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
KIF11 P52732 2/20 0.39
CYP19A1 P11511 1/20 0.36
TRPV6 Q9H1D0 1/20 0.34
ALOX5 P09917 1/20 0.34
PTGS2 P35354 1/20 0.34
OPRM1 P35372 1/20 0.33
OPRL1 P41146 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
SCN9A Q15858 1/20 0.33
ALOX15B O15296 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL2623742 0.93 DHFR (0.37) CYP3A4ALDH1A1TSHRKIF11CYP19A1
SCHEMBL26044351 0.89 KIF11 (0.40) CYP3A4ALDH1A1TSHRKIF11CYP19A1
SCHEMBL2623728 0.85 L3MBTL1 (0.37) CYP3A4ALDH1A1TSHRCYP2C9CYP2C19
SCHEMBL26043033 0.84 DHFR (0.38) CYP3A4ALDH1A1KIF11
SCHEMBL2632415 0.82 KIF11 (0.49) CYP3A4KIF11CYP19A1
SCHEMBL16710466 0.77 ALDH1A1 (0.59) CYP3A4ALDH1A1TSHRKIF11CYP19A1
SCHEMBL16710464 0.77 ALDH1A1 (0.59) CYP3A4ALDH1A1TSHRKIF11CYP19A1
SCHEMBL9231291 0.77 ALDH1A1 (0.59) CYP3A4ALDH1A1TSHRKIF11CYP19A1
SCHEMBL20386605 0.77 ALDH1A1 (0.59) CYP3A4ALDH1A1TSHRKIF11CYP19A1
SCHEMBL23059909 0.76 KIF11 (0.50) CYP3A4ALDH1A1TSHRKIF11CYP19A1

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-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 CYP3A4 36/4885ALDH1A1 15/4885TSHR 4789/4885

“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.