Sugi Predict

Sugi Predict / Compounds / SCHEMBL2623720

SCHEMBL2623720

SCHEMBL2623720

c1ccc(N(C2=NC3=NC(N(c4ccccc4)c4ccc5ccccc5c4)=NC4=NC(N(c5ccccc5)c5ccc6ccccc6c5)=NC(=N2)N34)c2ccc3ccccc3c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.33
▸ LMNA P02545 2/20 0.33
▸ TP53 P04637 1/20 0.33
▸ L3MBTL1 Q9Y468 4/20 0.32
▸ NPSR1 Q6W5P4 3/20 0.32
▸ TDP1 Q9NUW8 2/20 0.32
▸ TSHR P16473 2/20 0.32
▸ HTT P42858 2/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ CYP1A2 P05177 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ INSR P06213 1/20 0.31
▸ IGF1R P08069 1/20 0.31
▸ CYP19A1 P11511 1/20 0.31
▸ CYP11B1 P15538 1/20 0.31
▸ CYP11B2 P19099 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
SCHEMBL2623726 0.95 CYP19A1 (0.33) ALDH1A1L3MBTL1NPSR1TDP1HTT
SCHEMBL2623722 0.90 ALDH1A1 (0.33) ALDH1A1TDP1MAPTCYP3A4
SCHEMBL2623728 0.85 L3MBTL1 (0.37) ALDH1A1L3MBTL1NPSR1TDP1TSHR
SCHEMBL2632325 0.78 EGFR (0.40) ALDH1A1LMNATP53L3MBTL1KDM4E
SCHEMBL23264340 0.77 ALDH1A1 (0.50) ALDH1A1LMNATP53L3MBTL1NPSR1
SCHEMBL23264339 0.77 ALDH1A1 (0.50) ALDH1A1LMNATP53L3MBTL1NPSR1
SCHEMBL1035098 0.77 ALDH1A1 (0.50) ALDH1A1LMNATP53L3MBTL1NPSR1
SCHEMBL23264551 0.77 ALDH1A1 (0.50) ALDH1A1LMNATP53L3MBTL1NPSR1
SCHEMBL15968959 0.77 ALDH1A1 (0.50) ALDH1A1LMNATP53L3MBTL1NPSR1
SCHEMBL13720527 0.77 ALDH1A1 (0.50) ALDH1A1LMNATP53L3MBTL1NPSR1

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 ALDH1A1 15/4885LMNA 3457/4885TP53 4416/4885

“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.