SCHEMBL13966273

SCHEMBL13966273

Cc1ccc2c(OC(C)C)nc3cc(F)ccc3c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR4 Q13639 1/20 0.36
▸ MPO P05164 1/20 0.36
▸ GRM2 Q14416 1/20 0.35
▸ KIF11 P52732 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ PKM P14618 1/20 0.34
▸ PIK3CA P42336 1/20 0.33
▸ PIK3CB P42338 1/20 0.33
▸ PIK3CG P48736 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ ITK Q08881 1/20 0.33
▸ CTNNB1 P35222 2/20 0.32
▸ TCF7L2 Q9NQB0 2/20 0.32
▸ BCHE P06276 3/20 0.32
▸ ACHE P22303 1/20 0.32
▸ DHODH Q02127 1/20 0.32
▸ BTK Q06187 1/20 0.32
▸ MAPT P10636 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
SCHEMBL13966275 0.94 HTR4 (0.36) HTR4MPOGRM2KIF11POLB
SCHEMBL13966262 0.91 HTR4 (0.39) HTR4MPOBCHEACHEBTK
SCHEMBL13966377 0.89 KIF11 (0.38) HTR4MPOGRM2KIF11POLB
SCHEMBL13966260 0.85 HTR4 (0.47) HTR4MPOPKMKDM4EACHE
SCHEMBL13966274 0.82 MAPT (0.48) POLBPKMKDM4EMEN1KMT2A
SCHEMBL13966261 0.81 MAPT (0.47) HTR4PKMKDM4EMEN1KMT2A
SCHEMBL13966272 0.81 TRPA1 (0.44) POLBKDM4EMEN1KMT2AITK
SCHEMBL13966266 0.78 MAPT (0.43) KDM4EMEN1KMT2AITKMAPT
SCHEMBL13966277 0.78 TRPV4 (0.39) PKM
SCHEMBL13966276 0.77 MAPT (0.48) POLBPKMKDM4EMEN1KMT2A

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-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

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 HTR4 2316/4885MPO 676/4885GRM2 4844/4885

“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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