SCHEMBL19768456

SCHEMBL19768456

c1ccc(-c2ccc3ccc4ccc(-c5ccc6ccc7c(-c8ccc(-c9cnc%10ccccc%10c9)nc8)ccc8ccc5c6c87)nc4c3n2)nc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 1/20 0.38
▸ PDGFRB P09619 2/20 0.36
▸ PDGFRA P16234 2/20 0.36
▸ DHODH Q02127 1/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ PIK3CA P42336 3/20 0.34
▸ MAP4K4 O95819 2/20 0.34
▸ CSNK1G2 P78368 2/20 0.34
▸ CLK4 Q9HAZ1 2/20 0.34
▸ MKNK2 Q9HBH9 2/20 0.34
▸ PIK3CD O00329 2/20 0.34
▸ MAP4K5 Q9Y4K4 1/20 0.34
▸ CHEK2 O96017 2/20 0.34
▸ MAPKAPK2 P49137 2/20 0.34
▸ PARP10 Q53GL7 1/20 0.34
▸ PARP11 Q9NR21 1/20 0.34
▸ PLK4 O00444 1/20 0.33
▸ DAPK3 O43293 1/20 0.33
▸ DYRK3 O43781 1/20 0.33

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
SCHEMBL19768506 0.87 HPGDS (0.41) CYP2A6DHODHNPC1RAB9ACHEK2
SCHEMBL19768521 0.86 CYP2A6 (0.40) CYP2A6PDGFRBPDGFRAPIK3CAMAP4K4
SCHEMBL19768478 0.85 ERN1 (0.39) CYP2A6PDGFRBPDGFRAPIK3CAPIK3CD
SCHEMBL19768475 0.84 CYP2A6 (0.50) CYP2A6NPC1RAB9APIM1MAPK1
SCHEMBL19768480 0.84 CYP2A6 (0.54) CYP2A6PDGFRBPDGFRANPC1RAB9A
SCHEMBL19768459 0.84 CYP2A6 (0.43) CYP2A6PDGFRBPDGFRAPIK3CAMAP4K4
SCHEMBL19768503 0.84 NPC1 (0.41) CYP2A6NPC1RAB9APIK3CAPIK3CD
SCHEMBL19767985 0.84 CYP2A6 (0.42) CYP2A6PDGFRBPDGFRAPIK3CAMAP4K4
SCHEMBL15497848 0.83 PDGFRB (0.46) CYP2A6PDGFRBPDGFRANPC1RAB9A
SCHEMBL19768511 0.82 CYP2A6 (0.54) CYP2A6PDGFRBPDGFRADHODHNPC1

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 1583/4885PDGFRB 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.

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