SCHEMBL19009798

SCHEMBL19009798

S=P(c1ccccc1)(c1ccccc1)c1cncc(-c2ccc3c(c2)nc(-c2ccccc2)c2c4ccccc4c4ccccc4c32)c1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.33
CSNK2A2 P19784 1/20 0.32
CSNK2B P67870 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
PIK3CD O00329 1/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CB P42338 1/20 0.31
MTOR P42345 1/20 0.31
PIK3CG P48736 1/20 0.31

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
SCHEMBL19009806 0.88 DHFR (0.35) DHFRCSNK2A2CSNK2BCYP11B1CYP11B2
SCHEMBL17300246 0.79 DHFR (0.39) DHFRCSNK2A2CSNK2BPIK3CA
SCHEMBL17300241 0.78 DHFR (0.40) DHFRCSNK2A2CSNK2BPIK3CA
SCHEMBL19009813 0.78 TOP1 (0.33) DHFR
SCHEMBL17035039 0.76 TOP1 (0.35) DHFRCSNK2A2CSNK2BCYP11B1CYP11B2
SCHEMBL19009774 0.76 TOP1 (0.35) CYP11B1
SCHEMBL19009809 0.76 MAPK10 (0.32) CSNK2A2CSNK2BPIK3CDPIK3CAPIK3CB
SCHEMBL17300228 0.73 MEN1 (0.48) DHFRCSNK2A2CSNK2B
SCHEMBL17914776 0.73 DHODH (0.41)
SCHEMBL17300242 0.73 DHODH (0.39) DHFRPIK3CDPIK3CAPIK3CBMTOR

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 DHFR 2110/4885CSNK2A2 1398/4885CSNK2B 1529/4885

“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.