SCHEMBL19009843

SCHEMBL19009843

O=P(c1ccc2ccccc2c1)(c1ccc2ccccc2c1)c1ccc(-c2ccc3c(c2)nc(-c2ccccc2)c2c4ccccc4c4ccccc4c32)c2ccccc12

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.33
ADORA1 P30542 2/20 0.33
CYP2C9 P11712 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
SCHEMBL19009803 0.91 TOP1 (0.35)
SCHEMBL19009836 0.85 MAPT (0.32) ADORA2AADORA1CYP2C9
SCHEMBL19009756 0.84 ADORA2A (0.33) ADORA2AADORA1
SCHEMBL19009813 0.81 TOP1 (0.33)
SCHEMBL17300241 0.79 DHFR (0.40)
SCHEMBL19009768 0.78 MAPT (0.31) ADORA2AADORA1
SCHEMBL19009808 0.78 TOP1 (0.34)
SCHEMBL17300226 0.78 CYP1A2 (0.42) ADORA2AADORA1
SCHEMBL17300243 0.78 DHODH (0.36) ADORA2A
SCHEMBL17300246 0.77 DHFR (0.39)

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 ADORA2A 4579/4885ADORA1 4139/4885CYP2C9 385/4885

“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.