SCHEMBL13966263

SCHEMBL13966263

CC(C)Oc1nc2cccc(F)c2c2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 3/20 0.45
▸ MAPT P10636 3/20 0.45
▸ TSHR P16473 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ PARP1 P09874 1/20 0.38
▸ BTK Q06187 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ ESR1 P03372 1/20 0.35
▸ TLR8 Q9NR97 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ TYMS P04818 1/20 0.34
▸ GBA1 P04062 1/20 0.34

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
SCHEMBL13966269 0.89 MAPT (0.46) ATMMAPTTSHRL3MBTL1PARP1
SCHEMBL13976027 0.83 CYP1A2 (0.46) MAPTPARP1ALDH1A1ESR1MAPK1
SCHEMBL13966259 0.79 ATM (0.56) ATMMAPTTSHRL3MBTL1BTK
SCHEMBL13975114 0.76 POLB (0.46) ATMMAPTL3MBTL1ALDH1A1MAPK1
SCHEMBL13966261 0.75 MAPT (0.47) ATMMAPTTSHRL3MBTL1BTK
SCHEMBL13966260 0.73 HTR4 (0.47) ATMMAPTTSHRL3MBTL1PARP1
SCHEMBL13966264 0.72 MAPT (0.47) ATMMAPTTSHRL3MBTL1BTK
SCHEMBL28084002 0.70 CYP1A2 (0.46) MAPTTSHRPARP1ALDH1A1KDM4E
SCHEMBL13409375 0.70 ALOX5AP (0.40) ATMMAPTTSHRL3MBTL1ALDH1A1
SCHEMBL13966274 0.70 MAPT (0.48) ATMMAPTTSHRL3MBTL1BTK

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8951964-B2 Phenanthridine macrocyclic hepatitis C serine protease inhibitors ABBVIE INC. (US) 2015-02-10 — — US disclosed
US-20120295842-A1 PHENANTHRIDINE MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ABBVIE INC. 2012-11-22 — — US disclosed
US-20120295842-A1 PHENANTHRIDINE MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ABBVIE INC. 2012-11-22 — — 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-20120295842-A1 PHENANTHRIDINE MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS TMPRSS15, HPN, PRSS1 ATM 4349/4885MAPT 3503/4885TSHR 3946/4885

“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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