SCHEMBL21397152

SCHEMBL21397152

N#Cc1cc(-c2cnccc2N2c3ccccc3Oc3ccccc32)ccc1N1c2ccccc2Oc2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 3/20 0.37
CYP11B1 P15538 2/20 0.37
NCOA3 Q9Y6Q9 1/20 0.36
HSD17B10 Q99714 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CDK5 Q00535 2/20 0.33
DYRK1A Q13627 2/20 0.33
CDK5R1 Q15078 2/20 0.33
CLK4 Q9HAZ1 2/20 0.33
CLK1 P49759 1/20 0.33
CLK2 P49760 1/20 0.33
CLK3 P49761 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
SCHEMBL21396727 0.90 CYP11B2 (0.33) CYP11B2CYP11B1NCOA3HSD17B10KDM4E
SCHEMBL21927959 0.85 ATR (0.37) CYP11B2CYP11B1HSD17B10CLK4ABL1
SCHEMBL21928469 0.84 PDE10A (0.39) CYP11B2NCOA3KDM4EABL1PDE10A
SCHEMBL21397024 0.84 AR (0.37) CYP11B2CYP11B1NCOA3ABL1PDE10A
SCHEMBL21397038 0.83 CYP11B2 (0.37) CYP11B2CYP11B1NCOA3SMN1; SMN2CDK5
SCHEMBL21396946 0.83 CYP11B1 (0.35) CYP11B2CYP11B1NCOA3HSD17B10CLK4
SCHEMBL21397029 0.81 CYP11B1 (0.36) CYP11B2CYP11B1NCOA3KDM4ECDK5
SCHEMBL21927334 0.81 ATR (0.36) NCOA3KDM4EMEN1KMT2ACDK5
SCHEMBL21928470 0.81 PDE10A (0.38) NCOA3HSD17B10CLK4PDE10AALDH1A1
SCHEMBL21693057 0.79 P2RX4 (0.37) NPC1MAPTRAB9ASMN1; SMN2NPSR1

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-20190296247-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2019-09-26 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-20190296247-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SLC25A21, SLCO4C1, SLC18A1 CYP11B2 1859/4885CYP11B1 1877/4885NCOA3 1772/4885

“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.