SCHEMBL19959779

SCHEMBL19959779

S=P(c1cccnc1)(c1ccc2ccccc2c1)c1cccc2c1nc1c3ccccc3c3ccccc3n21

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP2C9 P11712 1/20 0.32
CYP11B1 P15538 2/20 0.32
CYP17A1 P05093 1/20 0.32
CYP19A1 P11511 1/20 0.32
CYP11B2 P19099 1/20 0.32
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL19959781 0.92 NPSR1 (0.36) NPSR1
SCHEMBL19959825 0.92 NPSR1 (0.32) NPSR1
SCHEMBL19959820 0.91 NPSR1 (0.36) NPSR1
SCHEMBL19959776 0.88 SMN1; SMN2 (0.35) MEN1NPC1ALDH1A1RAB9AKMT2A
SCHEMBL19959864 0.88 ALDH1A1 (0.32) ALDH1A1
SCHEMBL19959794 0.87 CYP2C9 (0.35) MEN1NPC1ALDH1A1RAB9AKMT2A
SCHEMBL19959863 0.87 EGFR (0.32)
SCHEMBL19959909 0.86 USP2 (0.31) ALDH1A1
SCHEMBL19959912 0.85 NPSR1 (0.34) ALDH1A1NPSR1
SCHEMBL19965897 0.85 CYP2C9 (0.35) MEN1NPC1ALDH1A1RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10700289-B2 Heterocyclic compound and organic light emitting element comprising same LG CHEM, LTD. (KR) 2020-06-30 US disclosed
US-20180076395-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2018-03-15 US disclosed
US-20180076395-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2018-03-15 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 (2 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-20180076395-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME CRY1, CRY2, PER2 MEN1 885/4885NPC1 3974/4885ALDH1A1 750/4885
US-10700289-B2 Heterocyclic compound and organic light emitting element comprising same CRY1, CRY2, PER2 MEN1 885/4885NPC1 3974/4885ALDH1A1 750/4885

“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.