SCHEMBL431223

SCHEMBL431223

CC1(C)c2cccnc2-c2ncc(Br)cc21

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 4/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C19 P33261 2/20 0.33
KMT2A Q03164 1/20 0.33
HTT P42858 1/20 0.33
CDC25B P30305 1/20 0.32
SMO Q99835 1/20 0.32
CYP2A6 P11509 1/20 0.31
HKDC1 Q2TB90 1/20 0.30
PADI1 Q9ULC6 1/20 0.30
PADI3 Q9ULW8 1/20 0.30
PADI4 Q9UM07 1/20 0.30
PADI2 Q9Y2J8 1/20 0.30
ATG4B Q9Y4P1 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL17427089 0.91 PDK2 (0.36) PDK2CYP1A2CYP2C19KMT2ACDC25B
SCHEMBL71083 0.86 SMN1; SMN2 (0.37) KMT2AHTTNPSR1SMN1; SMN2
SCHEMBL1335900 0.82 PDK2 (0.43) PDK2CYP1A2CYP2C19KMT2ACDC25B
SCHEMBL17851339 0.81 PDK2 (0.44) PDK2CYP1A2CYP2C19KMT2ACYP2A6
SCHEMBL14252637 0.80 CYP2A6 (0.34) PDK2CYP1A2CYP2C19KMT2ACYP2A6
SCHEMBL2515713 0.79 PDK2 (0.43) PDK2CYP1A2CYP2C19KMT2AHTT
SCHEMBL17546675 0.78 CYP1A2 (0.38) PDK2CYP1A2CYP2C19KMT2ACYP2A6
SCHEMBL11992080 0.78 KMT2A (0.39) PDK2CYP1A2CYP2C19KMT2A
SCHEMBL31342839 0.76 PDK2 (0.38) PDK2CYP1A2CYP2C19KMT2ACDC25B
SCHEMBL5763711 0.76 PDK2 (0.38) PDK2CYP1A2CYP2C19KMT2ACDC25B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1690847-B1 pi-conjugated compound having cardo structure, process for the preparation thereof and use thereof TOSOH CORP (JP) 2016-06-22 EP disclosed
US-8841004-B2 Binaphthyl compound and organic light emitting element using the same CANON KABUSHIKI KAISHA (JP) 2014-09-23 US disclosed
US-8841004-B2 Binaphthyl compound and organic light emitting element using the same CANON KABUSHIKI KAISHA (JP) 2014-09-23 US disclosed
US-20120061657-A1 BINAPHTHYL COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT USING THE SAME CANON KABUSHIKI KAISHA (JP) 2012-03-15 US disclosed
US-20120061657-A1 BINAPHTHYL COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT USING THE SAME CANON KABUSHIKI KAISHA (JP) 2012-03-15 US disclosed
US-8084937-B2 Binaphthyl compound and organic light emitting element using the same CANON KABUSHIKI KAISHA (JP) 2011-12-27 US disclosed
US-8084937-B2 Binaphthyl compound and organic light emitting element using the same CANON KABUSHIKI KAISHA (JP) 2011-12-27 US disclosed
US-20090091252-A1 BINAPHTHYL COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT USING THE SAME CANON KABUSHIKI KAISHA (JP) 2009-04-09 US disclosed
US-20090091252-A1 BINAPHTHYL COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT USING THE SAME CANON KABUSHIKI KAISHA (JP) 2009-04-09 US disclosed
US-20060186797-A1 Pi-conjugated compound having cardo structure, process for preparing same and use of same TOSOH CORPORATION (JP) 2006-08-24 US disclosed
EP-1690847-A1 pi-Conjugated compound having cardo structure, process for the preparation thereof and use thereof Tosoh Corporation (JP) 2006-08-16 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 (2 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-20090091252-A1 BINAPHTHYL COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT USING THE SAME ALPL, MT-ND4L, LAGE3 PDK2 2968/4885CYP1A2 310/4885CYP2C19 288/4885
US-20060186797-A1 Pi-conjugated compound having cardo structure, process for preparing same and use of same ARL1, TERB1, LEO1 PDK2 3990/4885CYP1A2 328/4885CYP2C19 579/4885

“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.