SCHEMBL21395839

SCHEMBL21395839

N#Cc1ccc(-c2ccc3c(c2)c2cc(-c4cccc(-c5ccc6ccc7cccnc7c6n5)c4)ccc2n3-c2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP1 P07148 1/20 0.40
CYP11B2 P19099 4/20 0.36
CYP11B1 P15538 3/20 0.36
PDE4D Q08499 2/20 0.36
PDE4A P27815 1/20 0.36
PDE4C Q08493 1/20 0.36
CYP17A1 P05093 1/20 0.36
MAPK1 P28482 1/20 0.36
ATM Q13315 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A3 P47895 1/20 0.34
GLO1 Q04760 1/20 0.34
GRM5 P41594 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
NEK1 Q96PY6 1/20 0.34
SLC40A1 Q9NP59 1/20 0.34

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 0.97 FABP1 (0.40) FABP1CYP11B2CYP11B1PDE4DPDE4A
SCHEMBL21396231 0.93 PDE4D (0.43) PDE4DPDE4APDE4CALDH1A3GRM5
SCHEMBL21395849 0.92 CYP11B1 (0.37) FABP1CYP11B2CYP11B1PDE4DPDE4A
SCHEMBL17899355 0.87 CCR1 (0.41) ATMSMN1; SMN2SLC40A1
SCHEMBL21395838 0.84 NR3C1 (0.39) FABP1PDE4DMAPK1GABRA1GABRG2
SCHEMBL22414183 0.82 MYC (0.41) ATMSMN1; SMN2ALDH1A3GABRA1GABRG2
SCHEMBL21395841 0.82 ALDH1A3 (0.42) MAPK1ALDH1A3GABRA1GABRG2GABRB3
SCHEMBL21395917 0.82 PARP1 (0.42) FABP1CYP11B2CYP11B1CYP17A1MAPK1
SCHEMBL16455807 0.82 FABP1 (0.39) FABP1CYP11B2CYP11B1PDE4DPDE4A
SCHEMBL15305728 0.81 ALDH1A3 (0.43) MAPK1ATMALDH1A3GABRA1GABRG2

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 FABP1 4775/4885CYP11B2 183/4885CYP11B1 515/4885

“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.