SCHEMBL14329652

SCHEMBL14329652

c1cnc2c(c1)[nH]c1cc3ccc4c5c(cc6ccc(c12)c3c64)[nH]c1cccnc15

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 1/20 0.50
▸ ADORA2A P29274 1/20 0.50
▸ KIF11 P52732 1/20 0.48
▸ MAPT P10636 5/20 0.44
▸ GABRA1 P14867 2/20 0.43
▸ GABRG2 P18507 2/20 0.43
▸ GABRB3 P28472 2/20 0.43
▸ GABRA5 P31644 2/20 0.43
▸ GABRA3 P34903 2/20 0.43
▸ GABRA2 P47869 2/20 0.43
▸ PARP1 P09874 3/20 0.42
▸ KDM4E B2RXH2 4/20 0.40
▸ TP53 P04637 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ CCR1 P32246 2/20 0.39
▸ CCR5 P51681 2/20 0.39
▸ CCR8 P51685 2/20 0.39
▸ GMNN O75496 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ HSP90AA1 P07900 1/20 0.39

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
SCHEMBL14330601 0.94 ADORA3 (0.49) ADORA3ADORA2AKIF11MAPTGABRA1
SCHEMBL14330604 0.90 ADORA3 (0.43) ADORA3ADORA2AKIF11MAPTGABRA1
SCHEMBL19988646 0.78 NPC1 (0.53) ADORA3ADORA2AKIF11MAPTGABRA1
SCHEMBL14329668 0.77 MAPT (0.45) ADORA2AMAPTGABRA1GABRG2GABRB3
SCHEMBL21155426 0.75 MAPT (0.56) ADORA3ADORA2AKIF11MAPTGABRA1
SCHEMBL19988645 0.74 CDK4 (0.68) ADORA3ADORA2AKIF11MAPTGABRA1
SCHEMBL19988541 0.74 GABRA1 (0.48) ADORA3ADORA2AKIF11MAPTGABRA1
SCHEMBL14329656 0.74 CCR1 (0.46) ADORA3ADORA2AKIF11GABRA1GABRG2
SCHEMBL12396542 0.73 PARP1 (0.55) ADORA3ADORA2AKIF11MAPTGABRA1
SCHEMBL30322789 0.73 PARP1 (0.55) ADORA3ADORA2AKIF11MAPTGABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8771844-B2 Heterocyclic compound and organic light-emitting diode and flat display device including the heterocyclic compound SAMSUNG DISPLAY CO., LTD. (KR) 2014-07-08 — — US disclosed
US-8771844-B2 Heterocyclic compound and organic light-emitting diode and flat display device including the heterocyclic compound SAMSUNG DISPLAY CO., LTD. (KR) 2014-07-08 — — US disclosed
US-20120326135-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DIODE AND FLAT DISPLAY DEVICE INCLUDING THE HETEROCYCLIC COMPOUND SAMSUNG DISPLAY CO., LTD. (KR) 2012-12-27 — — US disclosed
US-20120326135-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DIODE AND FLAT DISPLAY DEVICE INCLUDING THE HETEROCYCLIC COMPOUND SAMSUNG DISPLAY CO., LTD. (KR) 2012-12-27 — — 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-20120326135-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DIODE AND FLAT DISPLAY DEVICE INCLUDING THE HETEROCYCLIC COMPOUND DDT, DRD1, HTR3D ADORA3 3221/4885ADORA2A 1620/4885KIF11 3065/4885

“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.

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