SCHEMBL19009778

SCHEMBL19009778

S=P(c1ccccc1)(c1ccccc1)c1cc2c(-c3ccccc3)nc3c4ccccc4c4ccccc4c3c2c2cnccc12

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 4/20 0.38
CSNK2B P67870 4/20 0.38
TNF P01375 1/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
HTT P42858 1/20 0.33
RAD52 P43351 1/20 0.33
CYP11B1 P15538 1/20 0.32
MAPK10 P53779 1/20 0.32
DHODH Q02127 2/20 0.31
NCOA3 Q9Y6Q9 1/20 0.31
TOP1 P11387 1/20 0.31
CYP17A1 P05093 1/20 0.31
CYP1A2 P05177 1/20 0.31
NPSR1 Q6W5P4 1/20 0.30
PIM1 P11309 1/20 0.30

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
SCHEMBL19009761 0.79 TOP1 (0.38) KDM4EPOLBTOP1
SCHEMBL19009774 0.79 TOP1 (0.35) CYP11B1TOP1
SCHEMBL19009758 0.76 ESR1 (0.34) KDM4ETOP1NPSR1
SCHEMBL19009828 0.75 CSNK2A2 (0.47) CSNK2A2CSNK2BTNFMAPK10DHODH
SCHEMBL17914957 0.74 CSNK2A2 (0.44) CSNK2A2CSNK2BKDM4EMAPK10DHODH
SCHEMBL19009747 0.74 CSNK2A2 (0.45) CSNK2A2CSNK2BTNFKDM4EPOLB
SCHEMBL19009760 0.73 TOP1 (0.35) DHODHTOP1NPSR1
SCHEMBL19009717 0.73 CSNK2A2 (0.44) CSNK2A2CSNK2BKDM4ECYP11B1DHODH
SCHEMBL19009877 0.72 CYP11B1 (0.43) CSNK2A2CSNK2BKDM4ECYP11B1DHODH
SCHEMBL17914955 0.72 MEN1 (0.42) CSNK2A2CSNK2BKDM4EMAPK10DHODH

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 CSNK2A2 1398/4885CSNK2B 1529/4885TNF 1705/4885

“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.