SCHEMBL19768474

SCHEMBL19768474

c1cncc(-c2ccc3ccc4ccc(-c5ccc6ccc7c(-c8cnc9ccccc9c8)ccc8ccc5c6c87)nc4c3n2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.54
PDGFRB P09619 4/20 0.41
PDGFRA P16234 4/20 0.41
SLC22A12 Q96S37 1/20 0.41
KIT P10721 1/20 0.40
PARP10 Q53GL7 1/20 0.40
PARP11 Q9NR21 1/20 0.40
CYP11B1 P15538 2/20 0.39
CYP19A1 P11511 2/20 0.39
CYP17A1 P05093 1/20 0.39
CYP11B2 P19099 1/20 0.39
NPC1 O15118 2/20 0.39
MAPK10 P53779 1/20 0.38
CYP2C9 P11712 1/20 0.38
EGFR P00533 1/20 0.38
CLK2 P49760 1/20 0.37
CLK3 P49761 1/20 0.37
DYRK1A Q13627 1/20 0.37
BIRC5 O15392 1/20 0.36
PIK3CA P42336 2/20 0.36

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
SCHEMBL19768480 0.96 CYP2A6 (0.54) CYP2A6PDGFRBPDGFRASLC22A12KIT
SCHEMBL19768511 0.93 CYP2A6 (0.54) CYP2A6PDGFRBPDGFRASLC22A12KIT
SCHEMBL19768525 0.90 CYP2A6 (0.53) CYP2A6PDGFRBPDGFRASLC22A12KIT
SCHEMBL19768535 0.89 CYP2A6 (0.52) CYP2A6PDGFRBPDGFRASLC22A12KIT
SCHEMBL19768459 0.89 CYP2A6 (0.43) CYP2A6PDGFRBPDGFRAPARP10PARP11
SCHEMBL19768493 0.88 BIRC5 (0.45) CYP2A6PDGFRBPDGFRAPARP10PARP11
SCHEMBL19768482 0.88 PDGFRB (0.49) CYP2A6PDGFRBPDGFRASLC22A12PARP10
SCHEMBL19768502 0.86 CYP11B1 (0.52) SLC22A12CYP11B1CYP19A1CYP17A1CYP11B2
SCHEMBL19767985 0.86 CYP2A6 (0.42) CYP2A6PDGFRBPDGFRAPARP10PARP11
SCHEMBL19768468 0.86 CYP2A6 (0.41) CYP2A6PDGFRBPDGFRAPARP10PARP11

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 1 patent. 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

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 CYP2A6 1583/4885PDGFRB 4731/4885PDGFRA 4229/4885

“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.