SCHEMBL63896

SCHEMBL63896

Cc1nn(C)c(C)c1CN(C)C(=O)C(=O)NC12CCC(CC1)Cn1c2nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.44
KCNH2 Q12809 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.36
KCNE1 P15382 1/20 0.35
CCR1 P32246 1/20 0.35
KCNQ1 P51787 1/20 0.35
ERCC1 P07992 1/20 0.33
FEN1 P39748 1/20 0.33
ERCC4 Q92889 1/20 0.33
LMNA P02545 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TP53 P04637 2/20 0.31
LIPG Q9Y5X9 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31

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
SCHEMBL52571 0.88 CYP2C9 (0.44) CYP2C9KCNH2SMN1; SMN2KCNE1CCR1
SCHEMBL51744 0.88 CYP2C9 (0.44) CYP2C9KCNH2SMN1; SMN2KCNE1CCR1
SCHEMBL52508 0.87 CYP2C9 (0.49) CYP2C9KCNH2SMN1; SMN2KCNE1CCR1
SCHEMBL52664 0.86 CYP2C9 (0.55) CYP2C9KCNH2SMN1; SMN2KCNE1CCR1
SCHEMBL51736 0.85 CYP2C9 (0.48) CYP2C9KCNH2SMN1; SMN2KCNE1CCR1
SCHEMBL52289 0.85 CYP2C9 (0.48) CYP2C9KCNH2SMN1; SMN2KCNE1CCR1
SCHEMBL52357 0.85 CYP2C9 (0.48) CYP2C9KCNH2SMN1; SMN2KCNE1CCR1
SCHEMBL51836 0.85 CYP2C9 (0.48) CYP2C9KCNH2SMN1; SMN2KCNE1CCR1
SCHEMBL52451 0.85 CYP2C9 (0.48) CYP2C9KCNH2SMN1; SMN2KCNE1CCR1
SCHEMBL52619 0.84 CYP2C9 (0.47) CYP2C9KCNH2SMN1; SMN2KCNE1CCR1

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-8129398-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-06 US disclosed
US-8129398-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-06 US disclosed
US-20090253677-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-10-08 US disclosed
US-20090253677-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-10-08 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-20090253677-A1 HIV Integrase Inhibitors DNTT, POLB, UNG CYP2C9 602/4885KCNH2 3969/4885SMN1; SMN2 4431/4885

“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.