SCHEMBL21395984

SCHEMBL21395984

N#Cc1ccc(-c2cccc(-c3ccc4sc5ccc(-c6cc7cccnc7c7ncccc67)cc5c4c3)c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.38
PIM1 P11309 1/20 0.38
PIM3 Q86V86 1/20 0.38
PIM2 Q9P1W9 1/20 0.38
PDE4D Q08499 2/20 0.37
FABP1 P07148 1/20 0.37
PDE4A P27815 1/20 0.37
PDE4C Q08493 1/20 0.37
LIMK1 P53667 1/20 0.37
CYP11B2 P19099 3/20 0.36
CCR1 P32246 2/20 0.36
CCR8 P51685 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PIK3CD O00329 1/20 0.36
GLO1 Q04760 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP11B1 P15538 2/20 0.35
CYP17A1 P05093 1/20 0.35
SYK P43405 1/20 0.35
SLC40A1 Q9NP59 1/20 0.35

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
SCHEMBL21395980 0.97 PIM1 (0.39) PARP1PIM1PIM3PIM2PDE4D
SCHEMBL20726920 0.84 ABCG2 (0.43) PARP1PDE4DFABP1PDE4APDE4C
SCHEMBL20726801 0.83 ABCG2 (0.44) PARP1PDE4DFABP1PDE4APDE4C
SCHEMBL21395909 0.81 PGR (0.40) PARP1PDE4DFABP1PDE4APDE4C
SCHEMBL21396190 0.81 PGR (0.40) PARP1PDE4DFABP1PDE4APDE4C
SCHEMBL15582335 0.80 CCR1 (0.42) PIM3LIMK1CCR1CCR8L3MBTL1
SCHEMBL20726714 0.79 ABCG2 (0.44) PARP1PDE4DFABP1PDE4APDE4C
SCHEMBL21396192 0.79 PGR (0.40) PARP1PIM1PDE4DFABP1PDE4A
SCHEMBL20726800 0.78 ABCG2 (0.44) PARP1PDE4DFABP1PDE4APDE4C
SCHEMBL21395964 0.77 CCR1 (0.40) PARP1PDE4DFABP1PDE4APDE4C

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 PARP1 1538/4885PIM1 969/4885PIM3 1367/4885

“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.