Sugi Predict

Sugi Predict / Compounds / SCHEMBL12014694

SCHEMBL12014694

SCHEMBL12014694

c1ccc(N(c2ccc3c(-c4ccc5ccc6cccc7ccc4c5c67)c4cc(N(c5ccccc5)c5cccc6ccccc56)ccc4c(-c4ccc5ccc6cccc7ccc4c5c67)c3c2)c2cccc3ccccc23)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 3/20 0.38
▸ ERBB2 P04626 1/20 0.38
▸ FYN P06241 1/20 0.38
▸ MAOA P21397 1/20 0.38
▸ ACHE P22303 1/20 0.38
▸ AHR P35869 1/20 0.38
▸ SIGMAR1 Q99720 5/20 0.34
▸ ALDH1A1 P00352 3/20 0.33
▸ HPGD P15428 3/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ THRB P10828 1/20 0.33
▸ SOS1 Q07889 1/20 0.33
▸ MEN1 O00255 1/20 0.31
▸ USP2 O75604 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ ALOX12 P18054 1/20 0.31
▸ MAPK1 P28482 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
SCHEMBL12014716 0.90 ALDH1A1 (0.38) SIGMAR1ALDH1A1HPGDHSD17B10SOS1
SCHEMBL12014686 0.90 CYP1A2 (0.40) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL12014674 0.88 SIGMAR1 (0.38) SIGMAR1SOS1MEN1KMT2AL3MBTL1
SCHEMBL12617886 0.87 CYP1A2 (0.36) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL13333650 0.87 SIGMAR1 (0.37) CYP1A2SIGMAR1ALDH1A1SOS1MEN1
SCHEMBL12014688 0.86 CYP1A2 (0.37) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL14330789 0.85 CYP1A2 (0.36) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL18174836 0.84 CYP1A2 (0.38) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL13333759 0.84 SIGMAR1 (0.35) SIGMAR1ALDH1A1HPGDHSD17B10THRB
SCHEMBL12433900 0.83 CYP1A2 (0.37) CYP1A2ERBB2FYNMAOAACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10273404-B2 Materials for electronic devices MERCK PATENT GMBH (DE) 2019-04-30 — — US disclosed
US-20120326602-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2012-12-27 — — US disclosed
US-20120326602-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2012-12-27 — — US disclosed
US-20120217449-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2012-08-30 — — US disclosed
US-20120217449-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2012-08-30 — — US disclosed
WO-2011110276-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2011-09-15 — — WO disclosed
WO-2011054442-A2 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2011-05-12 — — 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-20120217449-A1 MATERIALS FOR ELECTRONIC DEVICES EFNA1, DDT, ERCC1 CYP1A2 578/4885ERBB2 2053/4885FYN 1167/4885

“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.