SCHEMBL6741567

SCHEMBL6741567

Cc1c(-c2cccnc2)sc(-c2cccnc2)c1C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 15/20 0.59
CYP3A4 P08684 9/20 0.59
CYP2C9 P11712 7/20 0.59
CYP2E1 P05181 6/20 0.59
CYP2B6 P20813 6/20 0.59
CYP2C19 P33261 5/20 0.59
CYP2D6 P10635 4/20 0.59
ALDH1A1 P00352 2/20 0.56
CYP1A2 P05177 1/20 0.56
KDM4E B2RXH2 1/20 0.48
LMNA P02545 1/20 0.48
TP53 P04637 1/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48
ALOX15 P16050 1/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HSD17B10 Q99714 1/20 0.48
GAA P10253 1/20 0.46
CYP11B1 P15538 1/20 0.46

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
SCHEMBL6747700 0.78 CYP2A6 (0.54) CYP2A6CYP3A4CYP2C9CYP2E1CYP2B6
SCHEMBL17967476 0.77 CYP2A6 (0.62) CYP2A6CYP3A4CYP2C9CYP2E1CYP2B6
SCHEMBL12195715 0.77 CYP2A6 (0.57) CYP2A6CYP3A4CYP2C9CYP2E1CYP2B6
SCHEMBL17060261 0.77 CYP2A6 (0.57) CYP2A6CYP3A4CYP2C9CYP2E1CYP2B6
SCHEMBL16850022 0.77 CYP2A6 (0.45) CYP2A6CYP3A4CYP2C9CYP2E1CYP2B6
SCHEMBL12278149 0.76 CYP3A4 (0.60) CYP2A6CYP3A4CYP2C9CYP2E1CYP2B6
SCHEMBL17849761 0.76 CYP1A2 (0.54) CYP2A6CYP3A4CYP2C9CYP2E1CYP2B6
SCHEMBL434197 0.75 CYP2A6 (0.63) CYP2A6CYP3A4CYP2C9CYP2E1CYP2B6
SCHEMBL13818540 0.75 CYP2A6 (0.50) CYP2A6CYP3A4CYP2C9CYP2E1CYP2B6
SCHEMBL3606167 0.75 CYP2A6 (1.00) CYP2A6CYP3A4CYP2C9CYP2E1CYP2B6

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-6696182-B2 HIGH PERFORMANCE DIPYRIDYL THIOPHENE OR DIPYRIDYL THIOPHENE DIOXIDE ELECTRON TRANSPORT MATERIALS WHICH WHEN EMPLOYED CAN GIVE LOW-VOLTAGE, HIGH EFFICIENCY ORGANIC ELECTROLUMINESCENT DEVICES CHISSO CORPORATION (JP) 2004-02-24 US disclosed
EP-1186605-B1 Organic electroluminescent device comprising dipyridylthiophene derivative CHISSO CORP (JP) 2003-04-16 EP disclosed
US-20020034658-A1 Organic electroluminescent device comprising dipyridylthiophene derivative CHISSO CORPORATION (JP) 2002-03-21 US disclosed
EP-1186605-A1 Organic electroluminescent device comprising dipyridylthiophene derivative CHISSO CORPORATION (JP) 2002-03-13 EP 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-20020034658-A1 Organic electroluminescent device comprising dipyridylthiophene derivative LAGE3, MAL2, ELF3 CYP2A6 3732/4885CYP3A4 1371/4885CYP2C9 2237/4885

“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.