SCHEMBL5645182

SCHEMBL5645182

CCOC(=O)c1nc2n(c(=O)c1OCc1ccccc1)CCC(=O)N2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
HPGD P15428 3/20 0.39
CYP19A1 P11511 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
HSP90AA1 P07900 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM5B Q9UGL1 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GABRA1 P14867 2/20 0.37
GABRG2 P18507 2/20 0.37
GABRB3 P28472 2/20 0.37
GABRA5 P31644 2/20 0.37
GABRA3 P34903 2/20 0.37
GABRA2 P47869 2/20 0.37
GABRP O00591 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
SCHEMBL5645582 0.90 KDM4E (0.42) KDM4EHPGDCYP19A1MEN1KMT2A
SCHEMBL5643707 0.80 PDE3B (0.41) KDM4EPDE3BPDE3AHPGDMEN1
SCHEMBL5390394 0.80 MAPT (0.50) KDM4EPDE3BPDE3AMEN1KMT2A
SCHEMBL5388971 0.79 HPGD (0.41) KDM4EPDE3BPDE3AHPGDCYP19A1
SCHEMBL4395071 0.79 KDM4E (0.41) KDM4EPDE3BPDE3AHPGDCYP19A1
SCHEMBL5540259 0.78 CYP2C19 (0.47) PDE3BPDE3ASMN1; SMN2ALDH1A1HSD17B10
SCHEMBL12778017 0.78 PDE3B (0.43) KDM4EPDE3BPDE3AHPGDMEN1
SCHEMBL13647664 0.78 HPGD (0.42) KDM4EPDE3BPDE3AHPGDMEN1
SCHEMBL5645240 0.78 KDM4E (0.39) KDM4EHPGDMEN1KMT2ASMN1; SMN2
SCHEMBL5390386 0.77 KDM4E (0.40) KDM4EPDE3BPDE3AHPGDCYP19A1

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
US-7192948-B2 Bicyclic heterocycles as HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-03-20 US disclosed
US-7192948-B2 Bicyclic heterocycles as HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-03-20 US disclosed
US-7192948-B2 Bicyclic heterocycles as HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-03-20 US disclosed
US-20050267132-A1 Bicyclic heterocycles as HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-12-01 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-20050267132-A1 Bicyclic heterocycles as HIV integrase inhibitors CCNI, TOP1, APOBEC3C KDM4E 1231/4885PDE3B 518/4885PDE3A 651/4885

“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.