SCHEMBL19009714

SCHEMBL19009714

c1cc(-c2cc3ccc4cccc5ccc(c2)c3c45)cc(-c2nc3c4ccccc4c4ccccc4c3c3ncccc23)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.38
ERBB2 P04626 1/20 0.38
FYN P06241 1/20 0.38
MAOA P21397 1/20 0.38
ACHE P22303 1/20 0.38
AHR P35869 1/20 0.38
ALDH1A1 P00352 2/20 0.38
THRB P10828 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PLK4 O00444 1/20 0.35
MAP4K4 O95819 1/20 0.35
EGFR P00533 1/20 0.35
ROS1 P08922 1/20 0.35
PIM1 P11309 1/20 0.35
AXL P30530 1/20 0.35
FLT3 P36888 1/20 0.35
FRK P42685 1/20 0.35
MAP4K2 Q12851 1/20 0.35
NTRK3 Q16288 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
SCHEMBL19009736 0.90 CYP1A2 (0.39) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL19009707 0.87 CYP1A2 (0.44) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL19009763 0.85 CYP1A2 (0.43) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL19009827 0.83 CSNK2A2 (0.38) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL19009787 0.81 CYP1A2 (0.37) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL19009742 0.81 CYP11B1 (0.38) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL17914963 0.80 TOP1 (0.42) ALDH1A1HPGDHSD17B10KDM4ENPC1
SCHEMBL19009725 0.80 CYP1A2 (0.43) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL21537673 0.79 CCR1 (0.38) ALDH1A1PLK4MAP4K4EGFRROS1
SCHEMBL19009730 0.78 L3MBTL1 (0.45) CYP1A2ALDH1A1HPGDPIM1MKNK2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170179407-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2017-06-22 US disclosed
US-20170179407-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2017-06-22 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-20170179407-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CRY2, CCNT1 CYP1A2 627/4885ERBB2 4724/4885FYN 4482/4885

“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.