SCHEMBL17829448

SCHEMBL17829448

O=S(=O)(Oc1cccc2cc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)ccc12)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
PTPN1 P18031 2/20 0.34
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
MEN1 O00255 3/20 0.32
HPGD P15428 3/20 0.32
KMT2A Q03164 3/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
LMNA P02545 3/20 0.32
SDHB P21912 2/20 0.32
MAPK1 P28482 2/20 0.32
S1PR4 O95977 1/20 0.32
TP53 P04637 1/20 0.32
POLB P06746 1/20 0.32
S1PR1 P21453 1/20 0.32
STAT3 P40763 1/20 0.32
STAT1 P42224 1/20 0.32

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
SCHEMBL17829446 0.91 CA1 (0.35) CA1CA2PTPN1PIK3CDPIK3CA
SCHEMBL25270097 0.86 KMT2A (0.38) CA1CA2PIK3CDPIK3CAPIK3CB
SCHEMBL17829434 0.84 JAK2 (0.38) CA1CA2PIK3CDPIK3CAPIK3CB
SCHEMBL17829449 0.83 CA2 (0.46) CA1CA2PTPN1PIK3CDPIK3CA
SCHEMBL20622877 0.83 CA1 (0.37) CA1CA2PTPN1PIK3CDPIK3CA
SCHEMBL22639447 0.83 CA1 (0.33) CA1CA2PTPN1PIK3CDPIK3CA
SCHEMBL29213977 0.82 PTPN1 (0.42) CA1CA2PTPN1HSD17B1HSD17B2
SCHEMBL19939382 0.82 CA1 (0.41) CA1CA2PIK3CDPIK3CAPIK3CB
SCHEMBL17829444 0.82 MAOB (0.38) CA1CA2MEN1HPGDKMT2A
SCHEMBL17829441 0.82 MAOB (0.38) CA1CA2MEN1HPGDKMT2A

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-20160172598-A1 HETERO RING COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME LG CHEM, LTD. (KR) 2016-06-16 US disclosed
US-20160172598-A1 HETERO RING COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME LG CHEM, LTD. (KR) 2016-06-16 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-20160172598-A1 HETERO RING COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME CRY1, CRY2, PER2 CA1 4547/4885CA2 4492/4885PTPN1 4214/4885

“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.