SCHEMBL19009813

SCHEMBL19009813

S=P(c1ccccc1)(c1ccccc1)c1ccc(-c2ccc3c(c2)nc(-c2ccccc2)c2c4ccccc4c4ccccc4c32)c2ccccc12

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 1/20 0.33
DHFR P00374 1/20 0.32
NPSR1 Q6W5P4 1/20 0.30
DHODH Q02127 1/20 0.30

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 0.87 TOP1 (0.35) TOP1DHFRDHODH
SCHEMBL19009843 0.81 ADORA2A (0.33)
SCHEMBL19009798 0.78 DHFR (0.33) DHFR
SCHEMBL17300226 0.78 CYP1A2 (0.42) DHFRDHODH
SCHEMBL17300241 0.77 DHFR (0.40) DHFRDHODH
SCHEMBL19009808 0.76 TOP1 (0.34) TOP1
SCHEMBL17300246 0.75 DHFR (0.39) TOP1DHFRDHODH
SCHEMBL17300228 0.74 MEN1 (0.48) DHFRDHODH
SCHEMBL19009810 0.74 HTR6 (0.36) NPSR1
SCHEMBL17300219 0.73 CYP1A2 (0.39) DHFRDHODH

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 898/4885DHFR 2110/4885NPSR1 4259/4885

“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.