SCHEMBL2267716

SCHEMBL2267716

c1cncc(N(c2cccnc2)c2ccc3ccc4c(N(c5cccnc5)c5cccnc5)ccc5ccc2c3c54)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.36
CYP1A1 P04798 1/20 0.36
CYP1B1 Q16678 1/20 0.36
KCNA5 P22460 2/20 0.36
ALDH1A1 P00352 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2A6 P11509 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
KMT2A Q03164 2/20 0.32
RAD52 P43351 1/20 0.32
CYP11B1 P15538 4/20 0.32
CYP11B2 P19099 3/20 0.32
CYP17A1 P05093 2/20 0.32
CHRNB2 P17787 2/20 0.32
CHRNA4 P43681 2/20 0.32
CYP19A1 P11511 1/20 0.32
MAPT P10636 3/20 0.31
MAPK1 P28482 3/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 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
SCHEMBL13304243 0.95 KCNA5 (0.40) CYP1A2CYP1A1CYP1B1KCNA5ALDH1A1
SCHEMBL25028185 0.87 MAPT (0.34) CYP1A2CYP1A1CYP1B1KCNA5ALDH1A1
SCHEMBL13304289 0.86 KIF11 (0.42) ALDH1A1CYP3A4KMT2AMAPTKDM4E
SCHEMBL25027804 0.84 ALDH1A1 (0.37) CYP1A2KCNA5ALDH1A1CYP3A4PTGDR2
SCHEMBL22808710 0.81 CYP1A1 (0.36) CYP1A2CYP1A1CYP1B1POLBGAA
SCHEMBL13320967 0.79 ALDH1A1 (0.34) CYP1A2ALDH1A1CYP3A4KMT2AMAPT
SCHEMBL13320974 0.79 ALDH1A1 (0.34) CYP1A2ALDH1A1CYP3A4KMT2AMAPT
SCHEMBL24699019 0.79 KDM4E (0.36) CYP1A2ALDH1A1CYP3A4CYP2A6KMT2A
SCHEMBL15607120 0.79 GRM2 (0.47) CYP11B1CYP11B2CHRNB2CHRNA4MAPT
SCHEMBL18540430 0.78 MAPT (0.34) CYP1A2CYP1A1CYP1B1ALDH1A1KMT2A

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-8512878-B2 Diaminopyrene derivative and organic EL device using the same IDEMITSU KOSAN CO., LTD. (JP) 2013-08-20 US disclosed
US-20110193064-A1 DIAMINOPYRENE DERIVATIVE AND ORGANIC EL DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2011-08-11 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-20110193064-A1 DIAMINOPYRENE DERIVATIVE AND ORGANIC EL DEVICE USING THE SAME ELP1, EED, ESR1 CYP1A2 1772/4885CYP1A1 1268/4885CYP1B1 1387/4885

“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.