SCHEMBL2623748

SCHEMBL2623748

[C-]#[N+]c1ccc(N(C2=NC3=NC(N(c4ccc(C#N)cc4)c4ccc(C(F)(F)F)cc4)=NC4=NC(N(c5ccc(C)cc5)c5ccc(C#N)cc5)=NC(=N2)N43)c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RORC P51449 2/20 0.37
KIF11 P52732 1/20 0.36
CYP3A4 P08684 2/20 0.35
MLYCD O95822 1/20 0.34
CYP3A5 P20815 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP2A6 P11509 1/20 0.33
MAOB P27338 1/20 0.32
CYP19A1 P11511 6/20 0.32
ELANE P08246 1/20 0.31

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
SCHEMBL2623746 0.86
SCHEMBL2632415 0.86 KIF11 (0.49) RORCKIF11CYP3A4MLYCDCYP3A5
SCHEMBL2623744 0.82 ALDH1A1 (0.38) KIF11CYP3A4ALDH1A1
SCHEMBL2623745 0.81 ABCG2 (0.32)
SCHEMBL2623742 0.78 DHFR (0.37) KIF11CYP3A4ALDH1A1CYP19A1
SCHEMBL2632431 0.76 KIF11 (0.38) KIF11CYP3A4ALDH1A1
SCHEMBL26043033 0.72 DHFR (0.38) KIF11CYP3A4ALDH1A1
SCHEMBL2623732 0.71 ALDH1A1 (0.38) ALDH1A1ELANE
SCHEMBL2632428 0.71 CYP3A4 (0.40) KIF11CYP3A4ALDH1A1CYP19A1
SCHEMBL2632320 0.71 TSHR (0.39) MAOBCYP19A1

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 1 patent. 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

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 RORC 209/4885KIF11 1884/4885CYP3A4 36/4885

“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.