SCHEMBL20967904

SCHEMBL20967904

O=P(c1ccccc1)(c1ccccc1)c1cc2c(-c3ccc(F)cc3)nc3ccccc3c2c2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 1/20 0.48
ADORA2A P29274 1/20 0.46
SCN9A Q15858 6/20 0.41
MAPK10 P53779 1/20 0.40
MAPK14 Q16539 1/20 0.40
TNKS O95271 1/20 0.39
TNKS2 Q9H2K2 1/20 0.39
PARP2 Q9UGN5 1/20 0.39
GRM2 Q14416 1/20 0.38
MAPT P10636 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
TACR3 P29371 2/20 0.37
DHODH Q02127 3/20 0.37
CYP19A1 P11511 1/20 0.36

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
SCHEMBL17035150 0.91 NUDT1 (0.40) TOP1ADORA2AMAPTDHODH
SCHEMBL20967905 0.90 TOP1 (0.44) TOP1ADORA2ASCN9AMAPK10MAPK14
SCHEMBL20967918 0.89 TOP1 (0.47) TOP1ADORA2ASCN9AMAPK10MAPK14
SCHEMBL20249897 0.89 NUDT1 (0.40) ADORA2AMAPTDHODH
SCHEMBL20967907 0.87 TOP1 (0.47) TOP1ADORA2ASCN9AMAPK10MAPK14
SCHEMBL18200499 0.85 DHODH (0.37) TOP1ADORA2AMAPK10MAPTDHODH
SCHEMBL20967833 0.85 TOP1 (0.44) TOP1ADORA2ASCN9AMAPK10MAPK14
SCHEMBL20967906 0.82 TOP1 (0.41) TOP1ADORA2ASCN9AMAPK10MAPK14
SCHEMBL20967832 0.81 TOP1 (0.44) TOP1ADORA2ASCN9AMAPK10MAPK14
SCHEMBL17034974 0.79 DHODH (0.41) TOP1ADORA2ADHODH

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-10998503-B2 Condensed cyclic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2021-05-04 US disclosed
US-20190131544-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2019-05-02 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 (2 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-10998503-B2 Condensed cyclic compound and organic light-emitting device including the same CRY1, CRY2, LAGE3 TOP1 1413/4885ADORA2A 4437/4885SCN9A 1383/4885
US-20190131544-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CRY2, LAGE3 TOP1 1413/4885ADORA2A 4437/4885SCN9A 1383/4885

“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.