SCHEMBL5645240

SCHEMBL5645240

CCOC(=O)c1nc2n(c(=O)c1O)CCC(=O)N2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.39
MAPT P10636 4/20 0.39
ALOX15 P16050 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM5B Q9UGL1 2/20 0.38
HPGD P15428 4/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
CYP1A2 P05177 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 4/20 0.35
RAB9A P51151 3/20 0.35
NPC1 O15118 2/20 0.35
DPP4 P27487 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
OGFRL1 Q5TC84 1/20 0.34
LMNA P02545 1/20 0.34
ADORA1 P30542 1/20 0.34

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
SCHEMBL5646275 0.87 CYP1A2 (0.47) KDM4EMAPTALOX15MEN1KMT2A
SCHEMBL5645182 0.78 KDM4E (0.41) KDM4EMEN1KMT2AKDM5BHPGD
SCHEMBL5643178 0.75 KDM4E (0.39) KDM4EMAPTALOX15MEN1KMT2A
SCHEMBL5388733 0.73 MAPT (0.37) KDM4EMAPTALOX15MEN1KMT2A
SCHEMBL14064612 0.73 KDM4E (0.37) KDM4EMAPTALOX15MEN1KMT2A
SCHEMBL12777983 0.72 POLB (0.47) KDM4EMAPTMEN1KMT2AHPGD
SCHEMBL2530132 0.72 MAPT (0.45) KDM4EMAPTALOX15KDM5BHPGD
SCHEMBL5388469 0.72 MAPT (0.38) KDM4EMAPTALOX15MEN1KMT2A
SCHEMBL13647713 0.72 KDM5B (0.37) KDM4EMAPTALOX15MEN1KMT2A
SCHEMBL14064595 0.72 KDM4E (0.38) KDM4EMAPTALOX15MEN1KMT2A

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 1231/4885MAPT 3718/4885ALOX15 3008/4885

“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.