SCHEMBL5424471

SCHEMBL5424471

COC(C)(C)CCc1cn(Cc2ccc(F)cc2)c2cnc3c(c12)CCN(O)C3=O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.33
▸ CYP11B1 P15538 1/20 0.33
▸ CYP11B2 P19099 1/20 0.33
▸ MAPT P10636 3/20 0.32
▸ KMT2A Q03164 4/20 0.32
▸ MEN1 O00255 3/20 0.32
▸ LMNA P02545 5/20 0.31
▸ ALDH1A1 P00352 3/20 0.31
▸ HTT P42858 3/20 0.31
▸ SMN1; SMN2 Q16637 3/20 0.31
▸ L3MBTL1 Q9Y468 3/20 0.31
▸ KCNH2 Q12809 2/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ MCHR1 Q99705 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ CACNB4 O00305 1/20 0.31
▸ CACNA1A O00555 1/20 0.31
▸ CACNA1G O43497 1/20 0.31

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
SCHEMBL5427742 0.86 PKM (0.34) PKMCYP11B1CYP11B2MAPTKMT2A
SCHEMBL14506537 0.86 MEN1 (0.35) PKMCYP11B1CYP11B2MAPTKMT2A
SCHEMBL4965046 0.84 HTR6 (0.37) PKMMAPTKMT2AMEN1ALDH1A1
SCHEMBL5427942 0.84 CYP11B1 (0.40) PKMCYP11B1CYP11B2MAPTKMT2A
SCHEMBL4963385 0.84 MEN1 (0.36) PKMMAPTKMT2AMEN1LMNA
SCHEMBL5421018 0.84 PKM (0.33) PKMCYP11B1CYP11B2KMT2AMEN1
SCHEMBL4964658 0.83 CACNA1B (0.44) MAPTKMT2AMEN1ALDH1A1CYP3A4
SCHEMBL4964409 0.83 CYP2D6 (0.32) PKMCYP11B1CYP11B2MAPTKMT2A
SCHEMBL4965952 0.83 HTR6 (0.39) PKMALDH1A1CYP3A4CYP2D6CYP2C19
SCHEMBL4964888 0.83 ALDH1A1 (0.42) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2

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-20070099915-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC. 2007-05-03 — — US disclosed
US-20070099915-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC. 2007-05-03 — — US disclosed
US-20070099915-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC. 2007-05-03 — — 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-20070099915-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME IMPDH1, INTS9, TYMP PKM 1971/4885CYP11B1 1207/4885CYP11B2 1727/4885

“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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