SCHEMBL4964706

SCHEMBL4964706

COC(=O)c1ncc2c(ccn2Cc2ccc(F)cc2)c1C#CCN(OC(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.33
KDM4E B2RXH2 2/20 0.33
MAOB P27338 1/20 0.32
HSP90AA1 P07900 1/20 0.32
HSP90B1 P14625 1/20 0.32
MAPT P10636 2/20 0.31
LMNA P02545 3/20 0.31
CPB2 Q96IY4 1/20 0.31
TP53 P04637 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
GAA P10253 1/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
PKM P14618 1/20 0.31
TSHR P16473 1/20 0.31
HTT P42858 1/20 0.30
BCHE P06276 1/20 0.30
HTR6 P50406 1/20 0.30
PRKAA2 P54646 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
SCHEMBL4967424 0.82 HSP90AA1 (0.35) L3MBTL1KDM4EMAOBHSP90AA1HSP90B1
SCHEMBL4962219 0.82 MAPT (0.33) L3MBTL1KDM4EMAOBHSP90AA1HSP90B1
SCHEMBL4962223 0.82 MAPT (0.33) L3MBTL1KDM4EMAOBHSP90AA1HSP90B1
SCHEMBL4966198 0.82 MAOB (0.39) L3MBTL1KDM4EMAOBHSP90AA1HSP90B1
SCHEMBL4964809 0.79 KDM4E (0.40) L3MBTL1KDM4EMAOBHSP90AA1HSP90B1
SCHEMBL3495261 0.74 L3MBTL1 (0.45) L3MBTL1KDM4EMAOBHSP90AA1HSP90B1
SCHEMBL3493411 0.73 MAPT (0.39) L3MBTL1KDM4EMAOBMAPTLMNA
SCHEMBL14533492 0.72 L3MBTL1 (0.44) L3MBTL1KDM4EMAOBHSP90AA1HSP90B1
SCHEMBL4802034 0.72 L3MBTL1 (0.43) L3MBTL1KDM4EMAOBHSP90AA1HSP90B1
SCHEMBL14533491 0.71 L3MBTL1 (0.43) L3MBTL1KDM4EMAOBHSP90AA1HSP90B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1934220-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME Pfizer Products Incorporated (US) 2008-06-25 EP 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
WO-2007042883-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER PRODUCTS INC. (US) 2007-04-19 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-20070099915-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME IMPDH1, INTS9, TYMP L3MBTL1 1389/4885KDM4E 821/4885MAOB 979/4885

“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.