SCHEMBL21395849

SCHEMBL21395849

N#Cc1ccc2c(c1)c1cc(-c3ccc(-c4ccc5ccc6cccnc6c5n4)cc3)ccc1n2-c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.37
CYP11B2 P19099 2/20 0.37
CYP17A1 P05093 1/20 0.37
FABP1 P07148 1/20 0.37
PDE4A P27815 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
TDP2 O95551 3/20 0.37
SLC40A1 Q9NP59 1/20 0.37
GRM5 P41594 1/20 0.35
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
ATM Q13315 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A3 P47895 2/20 0.34
TNKS2 Q9H2K2 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 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
SCHEMBL21396191 0.95 FABP1 (0.40) CYP11B1CYP11B2CYP17A1FABP1PDE4A
SCHEMBL21395839 0.92 FABP1 (0.40) CYP11B1CYP11B2CYP17A1FABP1PDE4A
SCHEMBL21396231 0.91 PDE4D (0.43) PDE4APDE4CPDE4DGRM5ALDH1A3
SCHEMBL17899355 0.86 CCR1 (0.41) SLC40A1ATMSMN1; SMN2KDM4EALDH1A1
SCHEMBL16557714 0.85 FABP1 (0.41) CYP11B1CYP11B2CYP17A1FABP1PDE4A
SCHEMBL16557736 0.85 FABP1 (0.41) CYP11B1CYP11B2CYP17A1FABP1PDE4A
SCHEMBL21395838 0.84 NR3C1 (0.39) FABP1PDE4DKDM4EALDH1A1MAPT
SCHEMBL16455807 0.83 FABP1 (0.39) CYP11B1CYP11B2CYP17A1FABP1PDE4A
SCHEMBL16561058 0.83 FABP1 (0.41) FABP1PDE4APDE4CPDE4DTDP2
SCHEMBL17124103 0.83 TSHR (0.40) PDE4APDE4CPDE4DSMN1; SMN2KDM4E

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-20190292169-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME 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-20190292169-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME LAGE3, PPOX, SUN2 CYP11B1 515/4885CYP11B2 183/4885CYP17A1 2548/4885

“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.