SCHEMBL19009833

SCHEMBL19009833

O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2ccc3c(c2)c(-c2ccccc2)nc2c4ccccc4c4ccccc4c32)c2ccccc12

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 1/20 0.38
TYMS P04818 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
SCHEMBL19009756 0.90 ADORA2A (0.33) TOP1
SCHEMBL19009831 0.87 TOP1 (0.36) TOP1TYMS
SCHEMBL19009795 0.86 TOP1 (0.35) TOP1TYMS
SCHEMBL19009789 0.84 TOP1 (0.37) TOP1TYMS
SCHEMBL19009803 0.83 TOP1 (0.35) TOP1
SCHEMBL19009753 0.83 TOP1 (0.34) TOP1TYMS
SCHEMBL18253839 0.82 TOP1 (0.38) TOP1
SCHEMBL19009761 0.82 TOP1 (0.38) TOP1TYMS
SCHEMBL19009757 0.81 TOP1 (0.35) TOP1
SCHEMBL17915405 0.80 TYMS (0.36) TOP1TYMS

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 TOP1 898/4885TYMS 1197/4885

“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.