SCHEMBL19768535

SCHEMBL19768535

c1cncc(-c2cccc(-c3ccc4ccc5ccc(-c6ccc(-c7ccc8ccc9c(-c%10cnc%11ccccc%11c%10)ccc%10ccc7c8c%109)cc6)nc5c4n3)c2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 1/20 0.52
▸ CYP11B1 P15538 4/20 0.43
▸ CYP11B2 P19099 4/20 0.43
▸ CYP19A1 P11511 3/20 0.43
▸ CYP17A1 P05093 1/20 0.43
▸ PIK3CA P42336 3/20 0.39
▸ PGR P06401 1/20 0.39
▸ BIRC5 O15392 1/20 0.38
▸ PDGFRB P09619 3/20 0.38
▸ PDGFRA P16234 3/20 0.38
▸ PIK3CD O00329 2/20 0.37
▸ KIT P10721 1/20 0.37
▸ MAP4K4 O95819 2/20 0.37
▸ CLK4 Q9HAZ1 2/20 0.37
▸ MKNK2 Q9HBH9 2/20 0.37
▸ MAP4K5 Q9Y4K4 2/20 0.37
▸ MAPK10 P53779 1/20 0.37
▸ CSNK1G2 P78368 1/20 0.37
▸ DHODH Q02127 1/20 0.37
▸ EGFR P00533 1/20 0.37

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
SCHEMBL19768525 0.92 CYP2A6 (0.53) CYP2A6CYP11B1CYP11B2CYP19A1CYP17A1
SCHEMBL19768539 0.90 NPC1 (0.41) CYP2A6PIK3CABIRC5PDGFRBPDGFRA
SCHEMBL19768511 0.90 CYP2A6 (0.54) CYP2A6CYP11B1CYP11B2CYP19A1CYP17A1
SCHEMBL19768541 0.89 BIRC5 (0.43) CYP2A6CYP11B1CYP11B2CYP19A1CYP17A1
SCHEMBL19768474 0.89 CYP2A6 (0.54) CYP2A6CYP11B1CYP11B2CYP19A1CYP17A1
SCHEMBL19768301 0.89 CYP11B1 (0.46) CYP11B1CYP11B2CYP19A1CYP17A1PIK3CA
SCHEMBL19768493 0.88 BIRC5 (0.45) CYP2A6PIK3CABIRC5PDGFRBPDGFRA
SCHEMBL19768482 0.87 PDGFRB (0.49) CYP2A6PIK3CABIRC5PDGFRBPDGFRA
SCHEMBL19768480 0.87 CYP2A6 (0.54) CYP2A6CYP11B1CYP11B2CYP19A1CYP17A1
SCHEMBL19768523 0.86 CYP2A6 (0.43) CYP2A6PIK3CABIRC5PDGFRBPDGFRA

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 CYP2A6 1583/4885CYP11B1 1041/4885CYP11B2 472/4885

“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.

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