SCHEMBL21395980

SCHEMBL21395980

N#Cc1ccc(-c2ccc3sc4ccc(-c5cc6cccnc6c6ncccc56)cc4c3c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.39
PIM2 Q9P1W9 2/20 0.39
PIM3 Q86V86 1/20 0.39
LIMK1 P53667 1/20 0.39
CCR1 P32246 2/20 0.39
CCR8 P51685 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
PARP1 P09874 1/20 0.37
FABP1 P07148 1/20 0.37
SLC40A1 Q9NP59 1/20 0.36
MAP4K4 O95819 1/20 0.36
CYP11B2 P19099 3/20 0.36
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
GLO1 Q04760 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
CYP11B1 P15538 2/20 0.34
CYP17A1 P05093 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
SCHEMBL21395984 0.97 PARP1 (0.38) PIM1PIM2PIM3LIMK1CCR1
SCHEMBL21396190 0.84 PGR (0.40) LIMK1CCR1CCR8L3MBTL1PARP1
SCHEMBL21395909 0.84 PGR (0.40) LIMK1CCR1CCR8L3MBTL1PARP1
SCHEMBL20726714 0.82 ABCG2 (0.44) CCR1CCR8L3MBTL1PARP1FABP1
SCHEMBL21396192 0.81 PGR (0.40) PIM1CCR1CCR8L3MBTL1PARP1
SCHEMBL15582335 0.81 CCR1 (0.42) PIM3LIMK1CCR1CCR8L3MBTL1
SCHEMBL20726800 0.80 ABCG2 (0.44) CCR1CCR8L3MBTL1PARP1FABP1
SCHEMBL20726920 0.80 ABCG2 (0.43) CCR1CCR8L3MBTL1PARP1FABP1
SCHEMBL21395981 0.80 SLC40A1 (0.42) PIM1PIM2PIM3LIMK1CCR1
SCHEMBL21395964 0.80 CCR1 (0.40) CCR1CCR8L3MBTL1PARP1FABP1

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 PIM1 969/4885PIM2 910/4885PIM3 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.