SCHEMBL19009790

SCHEMBL19009790

[O-][S+](c1ccccc1)c1ccc(-c2ccc3c(c2)c(-c2ccccc2)nc2c4ccccc4c4ccccc4c32)cc1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.33
DHFR P00374 1/20 0.31
ADORA2A P29274 1/20 0.31
NUDT1 P36639 1/20 0.31
DHODH Q02127 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ATM Q13315 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
SCHEMBL19009781 0.84 MEN1 (0.33) ADORA2ANUDT1DHODHMEN1KMT2A
SCHEMBL19009804 0.80 DHFR (0.40) DHFRADORA2ANUDT1DHODHMEN1
SCHEMBL19009831 0.78 TOP1 (0.36) MKNK1DHFRADORA2ANUDT1DHODH
SCHEMBL17915328 0.77 NUDT1 (0.40) MKNK1ADORA2ANUDT1DHODHMEN1
SCHEMBL17915358 0.76 NUDT1 (0.39) ADORA2ANUDT1DHODHMEN1KMT2A
SCHEMBL19009789 0.76 TOP1 (0.37) MKNK1DHFRADORA2ANUDT1DHODH
SCHEMBL19009710 0.75 ADORA2A (0.43) ADORA2AMEN1KMT2A
SCHEMBL19009760 0.74 TOP1 (0.35) MKNK1ADORA2ANUDT1DHODHMEN1
SCHEMBL19009873 0.74 PRNP (0.48) ADORA2ANUDT1MEN1KMT2AATM
SCHEMBL19009701 0.73 CYP11B1 (0.43) ADORA2ADHODHMEN1KMT2A

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 MKNK1 3252/4885DHFR 2110/4885ADORA2A 4579/4885

“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.