SCHEMBL21453329

SCHEMBL21453329

c1ccc(-c2cc(N3c4ccccc4C4(c5ccccc5N(c5ccccc5)c5ccccc54)c4ccccc43)nc(-c3cccnc3)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.41
NPC1 O15118 4/20 0.41
CYP19A1 P11511 1/20 0.41
CYP3A4 P08684 6/20 0.40
CYP2C9 P11712 4/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
PIK3CG P48736 1/20 0.38
CYP2D6 P10635 4/20 0.37
CYP2C19 P33261 3/20 0.37
CYP1A2 P05177 2/20 0.37
HPGD P15428 2/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNA5 P30532 1/20 0.37
CHRNA4 P43681 1/20 0.37
MAPT P10636 3/20 0.36
HSD17B10 Q99714 3/20 0.36
MAPK1 P28482 2/20 0.36
TSHR P16473 1/20 0.36
NPSR1 Q6W5P4 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
SCHEMBL21453327 0.98 CYP19A1 (0.44) RAB9ANPC1CYP19A1CYP3A4CYP2C9
SCHEMBL20689813 0.92 CYP3A4 (0.39) RAB9ANPC1CYP19A1CYP3A4CYP2C9
SCHEMBL21453355 0.91 CYP19A1 (0.43) RAB9ANPC1CYP19A1CYP3A4CYP2C9
SCHEMBL20689938 0.88 HPGD (0.45) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
SCHEMBL21453357 0.84 NPC1 (0.43) RAB9ANPC1CYP3A4CYP2C9CYP2D6
SCHEMBL21453333 0.84 NPC1 (0.43) RAB9ANPC1CYP3A4CYP2C9CYP2D6
SCHEMBL20689815 0.84 ALDH1A1 (0.39) RAB9ANPC1CYP19A1CYP3A4CYP2C9
SCHEMBL21453688 0.84 RAB9A (0.41) RAB9ANPC1CYP19A1CYP3A4CYP2C9
SCHEMBL21453353 0.84 CYP19A1 (0.46) RAB9ANPC1CYP19A1CYP3A4CYP2C9
SCHEMBL21453331 0.83 NPC1 (0.42) RAB9ANPC1CYP3A4CYP2C9CYP2D6

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-20190312210-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2019-10-10 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-20190312210-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SLCO4C1, SLCO2A1, SLCO1A2 RAB9A 2351/4885NPC1 125/4885CYP19A1 516/4885

“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.