SCHEMBL21446453

SCHEMBL21446453

CC1(C)c2ccccc2-c2cc(Nc3ccccc3-c3cccc4c3sc3ccccc34)ccc21

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PARP14 Q460N5 1/20 0.49
▸ ALOX5 P09917 1/20 0.41
▸ PRKDC P78527 5/20 0.33
▸ EGFR P00533 1/20 0.33
▸ IDO1 P14902 3/20 0.33
▸ PTGIR P43119 1/20 0.33
▸ PIK3CD O00329 2/20 0.32
▸ PIK3CB P42338 2/20 0.32
▸ BRD4 O60885 1/20 0.32
▸ PIK3CA P42336 1/20 0.32
▸ MTOR P42345 1/20 0.32
▸ PIK3CG P48736 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ BRDT Q58F21 1/20 0.32
▸ TDO2 P48775 2/20 0.32
▸ PDK2 Q15119 1/20 0.31
▸ MAPT P10636 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
SCHEMBL25686202 0.87 PARP14 (0.40) PARP14ALOX5PRKDCEGFRIDO1
SCHEMBL19147809 0.86 ALOX5 (0.46) PARP14ALOX5PRKDCEGFRIDO1
SCHEMBL30192444 0.86 PARP14 (0.43) PARP14ALOX5PRKDCEGFRIDO1
SCHEMBL16802018 0.86 PARP14 (0.43) PARP14ALOX5PRKDCEGFRIDO1
SCHEMBL23558902 0.85 PARP14 (0.37) PARP14ALOX5PRKDCEGFR
SCHEMBL21446536 0.83 PTGIR (0.37) PARP14ALOX5IDO1PTGIRPDK2
SCHEMBL17742402 0.83 PTGIR (0.44) PARP14IDO1PTGIRTDO2PDK2
SCHEMBL22680675 0.82 RAB9A (0.34) PARP14EGFRPDK2
SCHEMBL24969722 0.82 PARP14 (0.35) PARP14ALOX5EGFRIDO1PTGIR
SCHEMBL24890009 0.81 FADS1 (0.40) PDK2MAPT

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-20210147375-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2021-05-20 — — US disclosed
WO-2019192954-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2019-10-10 — — WO 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-20210147375-A1 MATERIALS FOR ELECTRONIC DEVICES PNMT, EFNA1, TES PARP14 1536/4885ALOX5 2210/4885PRKDC 1765/4885

“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.

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