SCHEMBL1103314

SCHEMBL1103314

c1cncc(-c2c3ccccc3c(-c3cccnc3)c3c2cnc2ccccc23)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 5/20 0.46
CYP1A2 P05177 4/20 0.43
CYP3A4 P08684 4/20 0.43
ALDH1A1 P00352 4/20 0.43
CLK4 Q9HAZ1 3/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C9 P11712 2/20 0.43
TSHR P16473 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GLA P06280 1/20 0.43
F2 P00734 1/20 0.41
HPGD P15428 1/20 0.41
CYP11B1 P15538 1/20 0.41
HSD17B10 Q99714 2/20 0.40
CYP2C19 P33261 1/20 0.40
TGFBR1 P36897 1/20 0.40
PDE5A O76074 2/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL1103333 0.88 CYP19A1 (0.52) CYP2A6CYP1A2CYP3A4ALDH1A1CLK4
SCHEMBL1105452 0.85 ESR1 (0.43) CYP1A2CYP3A4ALDH1A1CYP2D6CYP2C9
SCHEMBL1103294 0.84 PDGFRB (0.44) CYP1A2CYP3A4ALDH1A1CYP2D6CYP2C9
SCHEMBL1103299 0.84 CDK4 (0.40) CYP2A6MAPTLMNAKDM4E
SCHEMBL1103486 0.83 ESR1 (0.42) CYP1A2CYP3A4ALDH1A1CYP2D6CYP2C9
SCHEMBL1103449 0.83 ESR1 (0.42) CYP1A2CYP3A4ALDH1A1CYP2D6CYP2C9
SCHEMBL1103479 0.83 ESR1 (0.42) CYP1A2CYP3A4ALDH1A1CYP2D6CYP2C9
SCHEMBL1103491 0.83 ESR1 (0.42) CYP1A2CYP3A4ALDH1A1CYP2D6CYP2C9
SCHEMBL1103380 0.82 ESR1 (0.41) CYP1A2CYP3A4ALDH1A1CYP2D6CYP2C9
SCHEMBL1103249 0.82 ESR1 (0.41) CYP1A2CYP3A4ALDH1A1CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153279-B2 Organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2012-04-10 US disclosed
US-8153279-B2 Organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2012-04-10 US disclosed
US-20100033083-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2010-02-11 US disclosed
US-20100033083-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-20100033083-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same ORMDL3, OCIAD2, OCIAD1 CYP2A6 1911/4885CYP1A2 1437/4885CYP3A4 1409/4885

“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.