SCHEMBL2205933

SCHEMBL2205933

Cc1nnc(C(=O)N(C)C2COCCn3c2nc(C(=O)NCc2ccc(F)cc2)c(O)c3=O)o1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.59
KCNH2 Q12809 1/20 0.55
KCNE1 P15382 1/20 0.52
CCR1 P32246 1/20 0.52
KCNQ1 P51787 1/20 0.52
CNR2 P34972 1/20 0.37
KMT2A Q03164 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPT P10636 2/20 0.34
CALCA P06881 1/20 0.34
THRB P10828 1/20 0.34
TP53 P04637 1/20 0.34
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ERCC1 P07992 1/20 0.33
FEN1 P39748 1/20 0.33
ERCC4 Q92889 1/20 0.33

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
SCHEMBL1380053 0.90 CYP2C9 (0.71) CYP2C9KCNH2KCNE1CCR1KCNQ1
SCHEMBL1380199 0.89 CYP2C9 (0.75) CYP2C9KCNH2KCNE1CCR1KCNQ1
SCHEMBL2207753 0.88 CYP2C9 (0.59) CYP2C9KCNH2KCNE1CCR1KCNQ1
SCHEMBL2205410 0.87 CYP2C9 (0.77) CYP2C9KCNH2KCNE1CCR1KCNQ1
SCHEMBL2204186 0.87 CYP2C9 (0.64) CYP2C9KCNH2KCNE1CCR1KCNQ1
SCHEMBL2209378 0.86 KCNH2 (0.64) CYP2C9KCNH2KCNE1CCR1KCNQ1
SCHEMBL2206695 0.82 KCNH2 (0.78) CYP2C9KCNH2KCNE1CCR1KCNQ1
SCHEMBL2205742 0.81 CYP2C9 (0.61) CYP2C9KCNH2KCNE1CCR1KCNQ1
SCHEMBL2207926 0.79 KCNH2 (0.61) CYP2C9KCNH2KCNE1CCR1KCNQ1
SCHEMBL13421595 0.79 KCNH2 (0.56) CYP2C9KCNH2KCNE1CCR1KCNQ1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7981879-B2 HIV integrase inhibitors Instituto di Ricerchi di Biologia Molecolare P. Angeletti S.p.A. (IT) 2011-07-19 US claimed
US-20090253681-A1 HIV Integrase Inhibitors MSD ITALIA S.R.L. (IT) 2009-10-08 US claimed
US-20110257162-A1 HIV INTEGRASE INHIBITORS SUMMA VINCENZO 2011-10-20 US disclosed
US-20110257162-A1 HIV INTEGRASE INHIBITORS SUMMA VINCENZO 2011-10-20 US disclosed
US-7981879-B2 HIV integrase inhibitors Instituto di Ricerchi di Biologia Molecolare P. Angeletti S.p.A. (IT) 2011-07-19 US disclosed
US-7981879-B2 HIV integrase inhibitors Instituto di Ricerchi di Biologia Molecolare P. Angeletti S.p.A. (IT) 2011-07-19 US disclosed
US-7981879-B2 HIV integrase inhibitors Instituto di Ricerchi di Biologia Molecolare P. Angeletti S.p.A. (IT) 2011-07-19 US disclosed
US-20090253681-A1 HIV Integrase Inhibitors MSD ITALIA S.R.L. (IT) 2009-10-08 US disclosed
US-20090253681-A1 HIV Integrase Inhibitors MSD ITALIA S.R.L. (IT) 2009-10-08 US disclosed
US-20090253681-A1 HIV Integrase Inhibitors MSD ITALIA S.R.L. (IT) 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 (2 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-20110257162-A1 HIV INTEGRASE INHIBITORS REV1, CDK9, INTS9 CYP2C9 672/4885KCNH2 2918/4885KCNE1 2704/4885
US-20090253681-A1 HIV Integrase Inhibitors REV1, INTS9, H1-10 CYP2C9 449/4885KCNH2 3625/4885KCNE1 3373/4885

“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.