SCHEMBL19768264

SCHEMBL19768264

c1cc(-c2ccc3ccc4ccc(-c5ccncc5)nc4c3n2)cc(-c2ccc3ccc4cccc5ccc2c3c45)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.41
NPC1 O15118 1/20 0.41
CYP3A4 P08684 1/20 0.41
AR P10275 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
RAB9A P51151 1/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
HPGD P15428 1/20 0.40
CLK1 P49759 2/20 0.39
CLK2 P49760 2/20 0.39
DYRK1A Q13627 2/20 0.39
CLK4 Q9HAZ1 2/20 0.39
GSK3B P49841 1/20 0.39
HIPK1 Q86Z02 1/20 0.39
HIPK4 Q8NE63 1/20 0.39
DYRK2 Q92630 1/20 0.39

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
SCHEMBL17680326 0.91 PARP1 (0.43) CYP1A2CYP3A4ARCYP2D6RAB9A
SCHEMBL19768533 0.90 IMPDH2 (0.44) CYP1A2NPC1CYP3A4ARCYP2D6
SCHEMBL19768465 0.89 CLK1 (0.42) CYP1A2NPC1CYP3A4ARCYP2D6
SCHEMBL21103895 0.88 PARP1 (0.42) CYP1A2CYP3A4ARCYP2D6RAB9A
SCHEMBL19768530 0.88 DYRK1A (0.43) CYP1A2NPC1CYP3A4CYP2D6CYP2C9
SCHEMBL19768384 0.87 CYP3A4 (0.41) CYP1A2NPC1CYP3A4ARCYP2D6
SCHEMBL17899303 0.85 PARP1 (0.42) CYP1A2CYP3A4RAB9AKDM4EALDH1A1
SCHEMBL21103890 0.85 PARP1 (0.42) CYP1A2CYP3A4ARCYP2D6RAB9A
SCHEMBL19768301 0.85 CYP11B1 (0.46) CYP1A2NPC1CYP3A4CYP2D6CYP2C9
SCHEMBL19768305 0.85 CYP2A6 (0.35) CYP1A2KDM4EALDH1A1MAPTPARP1

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-20180019407-A1 PHENANTHROLINE DERIVATIVE, ELECTRONIC DEVICE CONTAINING SAME, LIGHT EMITTING ELEMENT, AND PHOTOELECTRIC CONVERSION ELEMENT TORAY INDUSTRIES, INC (JP) 2018-01-18 US disclosed
US-20180019407-A1 PHENANTHROLINE DERIVATIVE, ELECTRONIC DEVICE CONTAINING SAME, LIGHT EMITTING ELEMENT, AND PHOTOELECTRIC CONVERSION ELEMENT TORAY INDUSTRIES, INC (JP) 2018-01-18 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-20180019407-A1 PHENANTHROLINE DERIVATIVE, ELECTRONIC DEVICE CONTAINING SAME, LIGHT EMITTING ELEMENT, AND PHOTOELECTRIC CONVERSION ELEMENT SUN2, PAH, FARS2 CYP1A2 297/4885NPC1 4176/4885CYP3A4 436/4885

“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.