SCHEMBL3835697

SCHEMBL3835697

COc1ccc(CNC(=O)c2nc3n(c(=O)c2O)CCCC32CCC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.49
KDM4E B2RXH2 2/20 0.49
MAPK1 P28482 2/20 0.49
HTT P42858 2/20 0.49
LMNA P02545 2/20 0.47
GAA P10253 1/20 0.47
POLB P06746 1/20 0.47
TSHR P16473 2/20 0.46
TP53 P04637 2/20 0.45
KCNH2 Q12809 1/20 0.44
CYP2C9 P11712 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
RAB9A P51151 1/20 0.44
ATM Q13315 1/20 0.44
ALOX15 P16050 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ABCB1 P08183 1/20 0.42
THRB P10828 1/20 0.42
EGLN1 Q9GZT9 1/20 0.42

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
SCHEMBL3837680 0.89 TP53 (0.47) MAPTLMNAGAAPOLBTP53
SCHEMBL3838306 0.87 KCNH2 (0.54) MAPTLMNAGAAKCNH2CYP2C9
SCHEMBL3836932 0.87 TP53 (0.47) MAPTLMNAGAATP53KCNH2
SCHEMBL3836083 0.87 ALDH1A1 (0.45) MAPTKDM4EHTTLMNAPOLB
SCHEMBL3836229 0.86 LMNA (0.49) LMNATSHRTP53EGLN1
SCHEMBL3840254 0.85 KCNH2 (0.54) MAPTLMNAGAAKCNH2CYP2C9
SCHEMBL3842530 0.85 KCNH2 (0.42) MAPTLMNAGAAPOLBTSHR
SCHEMBL3838501 0.83 TP53 (0.48) MAPTKDM4EMAPK1HTTLMNA
SCHEMBL3838569 0.83 HRH3 (0.41) KCNH2CYP2C9
SCHEMBL3836691 0.82 KCNH2 (0.44) MAPTLMNATP53KCNH2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1745052-B9 HIV INTEGRASE INHIBITORS: CYCLIC PYRIMIDINONE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2009-10-28 EP claimed
EP-1745052-B1 HIV INTEGRASE INHIBITORS: CYCLIC PYRIMIDINONE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2008-08-20 EP claimed
US-20050256109-A1 HIV integrase inhibitors: cyclic pyrimidinone compounds BRISTOL-MYERS SQUIBB COMPANY 2005-11-17 US claimed
EP-1745052-B9 HIV INTEGRASE INHIBITORS: CYCLIC PYRIMIDINONE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2009-10-28 EP disclosed
EP-1745052-B9 HIV INTEGRASE INHIBITORS: CYCLIC PYRIMIDINONE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2009-10-28 EP disclosed
US-7419969-B2 HIV integrase inhibitors: cyclic pyrimidinone compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2008-09-02 US disclosed
US-7419969-B2 HIV integrase inhibitors: cyclic pyrimidinone compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2008-09-02 US disclosed
EP-1745052-B1 HIV INTEGRASE INHIBITORS: CYCLIC PYRIMIDINONE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2008-08-20 EP disclosed
EP-1745052-B1 HIV INTEGRASE INHIBITORS: CYCLIC PYRIMIDINONE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2008-08-20 EP disclosed
US-7273859-B2 HIV integrase inhibitors: cyclic pyrimidinone compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2007-09-25 US disclosed
US-7273859-B2 HIV integrase inhibitors: cyclic pyrimidinone compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2007-09-25 US disclosed
WO-2007058646-A1 HIV INTEGRASE INHIBITORS: CYCLIC PYRIMIDINONE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-24 WO disclosed
US-20050256109-A1 HIV integrase inhibitors: cyclic pyrimidinone compounds BRISTOL-MYERS SQUIBB COMPANY 2005-11-17 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-20050256109-A1 HIV integrase inhibitors: cyclic pyrimidinone compounds TYMP, TYMS, SAMHD1 MAPT 3137/4885KDM4E 913/4885MAPK1 2152/4885

“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.