SCHEMBL13508019

SCHEMBL13508019

Cn1c2cc(N(c3ccccc3)c3ccc(C(C)(C)C)cc3)ccc2c2c3ccccc3c3c4ccc(N(c5ccccc5)c5ccc(C(C)(C)C)cc5)cc4n(C)c3c21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 3/20 0.37
▸ MAPT P10636 2/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ PGR P06401 1/20 0.33
▸ RORA P35398 1/20 0.33
▸ RORC P51449 1/20 0.33
▸ RORB Q92753 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ TNKS O95271 1/20 0.33
▸ TNKS2 Q9H2K2 1/20 0.33
▸ GABRP O00591 1/20 0.33
▸ GABRD O14764 1/20 0.33
▸ GABRA1 P14867 1/20 0.33
▸ GABRB1 P18505 1/20 0.33
▸ GABRG2 P18507 1/20 0.33
▸ GABRB3 P28472 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
SCHEMBL13507554 0.97 KIF11 (0.38) KIF11MAPTNPSR1ALDH1A1MAPK1
SCHEMBL13507879 0.91 KDM4E (0.39) KIF11MAPTNPSR1ALDH1A1KDM4E
SCHEMBL13507026 0.88 KIF11 (0.38) KIF11MAPTNPSR1ALDH1A1MAPK1
SCHEMBL13507560 0.85 TP53 (0.39) MAPTALDH1A1MAPK1TP53SMN1; SMN2
SCHEMBL13508156 0.85 LIMK1 (0.43) MAPTTP53KDM4ETNKS2GABRP
SCHEMBL18564752 0.85 KDM4E (0.37) KIF11MAPTNPSR1ALDH1A1SMN1; SMN2
SCHEMBL13507767 0.83 KDM4E (0.37) MAPTALDH1A1TP53KDM4EGABRP
SCHEMBL13507964 0.83 MAPT (0.37) MAPTNPSR1ALDH1A1TP53KDM4E
SCHEMBL13507564 0.83 MAPT (0.37) MAPTNPSR1ALDH1A1TP53KDM4E
SCHEMBL13507094 0.82 KIF11 (0.35) KIF11MAPTNPSR1ALDH1A1PGR

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-20100032658-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2010-02-11 — — US disclosed
US-20100032658-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2010-02-11 — — 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-20100032658-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same OCIAD1, OCIAD2, ORMDL3 KIF11 2078/4885MAPT 2046/4885NPSR1 3671/4885

“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.

Send feedback