SCHEMBL4393779

SCHEMBL4393779

CCCCN1CCn2c1nc(C(=O)NCc1ccc(F)cc1)c(OCc1ccccc1)c2=O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.45
ADORA2B P29275 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
SCD O00767 1/20 0.42
GAA P10253 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CNR1 P21554 4/20 0.40
CNR2 P34972 4/20 0.40
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
POLB P06746 2/20 0.39
PKM P14618 1/20 0.39

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
SCHEMBL4399163 0.91 SMN1; SMN2 (0.47) SMN1; SMN2L3MBTL1LMNAMAPTSCD
SCHEMBL4394467 0.90 ADORA3 (0.41) ADORA3ADORA2BSCDCNR1CNR2
SCHEMBL4397714 0.89 SCD (0.49) SMN1; SMN2L3MBTL1LMNAMAPTSCD
SCHEMBL4396976 0.88 SMN1; SMN2 (0.48) SMN1; SMN2L3MBTL1LMNAMAPTSCD
SCHEMBL4390455 0.88 ADORA3 (0.37) ADORA3ADORA2BL3MBTL1LMNAMAPT
SCHEMBL4397014 0.85 ADORA3 (0.35) ADORA3ADORA2BSCDCNR1CNR2
SCHEMBL4397399 0.84 ADORA3 (0.41) ADORA3ADORA2BSMN1; SMN2LMNAALDH1A1
SCHEMBL4392552 0.84 MAPT (0.46) SMN1; SMN2L3MBTL1LMNAMAPTSCD
SCHEMBL4398021 0.84 LMNA (0.48) SMN1; SMN2L3MBTL1LMNAMAPTSCD
SCHEMBL4397739 0.84 CNR1 (0.35) ADORA3ADORA2BSMN1; SMN2LMNASCD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1919921-B1 BICYCLIC HETEROCYCLES AS HIV INTEGRASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2012-06-27 EP disclosed
EP-1919921-B1 BICYCLIC HETEROCYCLES AS HIV INTEGRASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2012-06-27 EP disclosed
US-7494984-B2 Substituted imidazo[1,2-a]pyrimidines as HIV viral DNA integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-02-24 US disclosed
US-7494984-B2 Substituted imidazo[1,2-a]pyrimidines as HIV viral DNA integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-02-24 US disclosed
US-7494984-B2 Substituted imidazo[1,2-a]pyrimidines as HIV viral DNA integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-02-24 US disclosed
WO-2007027754-A1 BICYCLIC HETEROCYCLES AS HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-03-08 WO disclosed
US-20070049606-A1 Bicyclic heterocycles as HIV-integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-03-01 US disclosed
US-20070049606-A1 Bicyclic heterocycles as HIV-integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-03-01 US disclosed
US-20070049606-A1 Bicyclic heterocycles as HIV-integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-03-01 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-20070049606-A1 Bicyclic heterocycles as HIV-integrase inhibitors CCNI, APOBEC3C, CDKN1A ADORA3 1274/4885ADORA2B 2651/4885SMN1; SMN2 4498/4885

“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.