SCHEMBL14478657

SCHEMBL14478657

c1cncc(-c2ccc(-c3cnc4c5ccccc5c5cc(-c6ccc7ccccc7c6)c6ccccc6c5c4c3)cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 7/20 0.52
▸ CYP11B2 P19099 7/20 0.52
▸ CYP19A1 P11511 5/20 0.52
▸ CYP17A1 P05093 4/20 0.52
▸ CYP2A6 P11509 1/20 0.46
▸ NPC1 O15118 3/20 0.41
▸ RAB9A P51151 3/20 0.41
▸ KDM4E B2RXH2 3/20 0.38
▸ PDGFRB P09619 2/20 0.38
▸ PDGFRA P16234 2/20 0.38
▸ EGFR P00533 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ MAPK10 P53779 1/20 0.38
▸ KIT P10721 1/20 0.37
▸ PIM1 P11309 1/20 0.36
▸ PIK3CA P42336 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ MAPT P10636 1/20 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
SCHEMBL14478662 0.90 PDGFRB (0.45) CYP11B1CYP11B2CYP19A1CYP17A1KDM4E
SCHEMBL14478617 0.85 MAPK9 (0.40) CYP11B1CYP11B2CYP19A1CYP17A1KDM4E
SCHEMBL14478673 0.83 ADORA2A (0.40) CYP11B1CYP11B2CYP19A1CYP17A1NPC1
SCHEMBL14478665 0.82 TDP2 (0.41) CYP11B1CYP11B2CYP17A1CYP2A6NPC1
SCHEMBL14478694 0.81 ALDH1A1 (0.42) CYP11B1CYP11B2CYP19A1CYP17A1NPC1
SCHEMBL13642938 0.80 CYP11B1 (0.61) CYP11B1CYP11B2CYP19A1CYP17A1CYP2A6
SCHEMBL13084029 0.79 CYP11B1 (0.60) CYP11B1CYP11B2CYP19A1CYP17A1CYP2A6
SCHEMBL13083988 0.79 CYP11B1 (0.60) CYP11B1CYP11B2CYP19A1CYP17A1CYP2A6
SCHEMBL14478693 0.79 DHFR (0.39) CYP11B1CYP11B2CYP19A1CYP17A1CYP2A6
SCHEMBL19168348 0.79 CYP11B1 (0.57) CYP11B1CYP11B2CYP19A1CYP17A1CYP2A6

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8986855-B2 Heterocyclic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2015-03-24 — — US disclosed
US-8986855-B2 Heterocyclic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2015-03-24 — — US disclosed
US-8951649-B2 — — 2015-02-10 — — US disclosed
US-8951649-B2 — — 2015-02-10 — — US disclosed
US-20130001529-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG MOBILE DISPLAY CO., LTD. (KR) 2013-01-03 — — US disclosed
US-20130001529-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG MOBILE DISPLAY CO., LTD. (KR) 2013-01-03 — — 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-20130001529-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, ORC3, NR2E3 CYP11B1 796/4885CYP11B2 880/4885CYP19A1 110/4885

“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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