SCHEMBL4399240

SCHEMBL4399240

CCOC(=O)c1nc2n(c(=O)c1OCc1ccccc1)CCN2C(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.39
ADORA1 P30542 2/20 0.39
ADORA2A P29274 1/20 0.39
KDM4E B2RXH2 2/20 0.39
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HSP90AA1 P07900 1/20 0.38
HPGD P15428 1/20 0.37
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
PPARG P37231 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAOB P27338 1/20 0.37
TP53 P04637 1/20 0.37
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GAA P10253 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL4394462 0.89 CYP1A2 (0.39) LMNAHPGDALDH1A1MAOBTSHR
SCHEMBL4395071 0.87 KDM4E (0.41) ADORA3ADORA1ADORA2AKDM4EMEN1
SCHEMBL4397168 0.85 CASP3 (0.44) ADORA1ADORA2AKDM4EHPGDALDH1A1
SCHEMBL4393612 0.85 ALDH1A1 (0.46) KDM4ELMNAHPGDALDH1A1SMN1; SMN2
SCHEMBL4399245 0.83 KDM4E (0.39) ADORA3ADORA1ADORA2AKDM4ELMNA
SCHEMBL4393854 0.83 ADORA3 (0.39) ADORA3ADORA1ADORA2AKDM4ELMNA
SCHEMBL5643707 0.82 PDE3B (0.41) ADORA3ADORA1ADORA2AKDM4EMEN1
SCHEMBL4399671 0.82 CYP1A2 (0.41) KDM4ELMNAMEN1KMT2AHSP90AA1
SCHEMBL5540259 0.80 CYP2C19 (0.47) L3MBTL1PDE3BPDE3AALDH1A1TP53
SCHEMBL5538122 0.80 KDM4E (0.40) KDM4EMEN1KMT2AHSP90AA1HPGD

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 1274/4885ADORA1 1262/4885ADORA2A 2072/4885

“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.