SCHEMBL4397739

SCHEMBL4397739

CCCCN1CCn2c1nc(C(=O)NCc1ccc(F)cc1-n1cnc(C)n1)c(OCc1ccccc1)c2=O

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.35
CNR2 P34972 2/20 0.35
ADORA3 P0DMS8 1/20 0.35
ADORA2B P29275 1/20 0.35
POLB P06746 2/20 0.33
THRB P10828 1/20 0.33
P2RX7 Q99572 2/20 0.32
F11 P03951 1/20 0.32
SCD O00767 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HTR7 P34969 1/20 0.32
LMNA P02545 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
SCHEMBL4392706 0.88 P2RX7 (0.36) POLBTHRBP2RX7F11SCD
SCHEMBL4392389 0.87 P2RX7 (0.33) CNR1CNR2POLBTHRBP2RX7
SCHEMBL4393800 0.87 CYP2C9 (0.35) CNR1CNR2POLBF11
SCHEMBL4390455 0.86 ADORA3 (0.37) CNR1CNR2ADORA3ADORA2BSCD
SCHEMBL4393779 0.84 ADORA3 (0.45) CNR1CNR2ADORA3ADORA2BPOLB
SCHEMBL4397014 0.83 ADORA3 (0.35) CNR1CNR2ADORA3ADORA2BSCD
SCHEMBL4403363 0.82 F2 (0.34) LMNA
SCHEMBL4040758 0.81 P2RX7 (0.33) POLBTHRBP2RX7SCDLMNA
SCHEMBL4041831 0.81 POLB (0.32) POLBTHRBP2RX7F11SMN1; SMN2
SCHEMBL4394467 0.81 ADORA3 (0.41) CNR1CNR2ADORA3ADORA2BSCD

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
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
EP-1919921-A1 BICYCLIC HETEROCYCLES AS HIV INTEGRASE INHIBITORS Bristol-Myers Squibb Company (US) 2008-05-14 EP disclosed
WO-2007027754-A1 BICYCLIC HETEROCYCLES AS HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-03-08 WO 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 CNR1 2523/4885CNR2 3458/4885ADORA3 1274/4885

“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.