SCHEMBL2208259

SCHEMBL2208259

Cc1cc(CNC(=O)c2nc3n(c(=O)c2O)CCN(C(=O)OC(C)(C)C)CC3N(C)C(=O)C(=O)N(C)C)ccc1F

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.58
KCNH2 Q12809 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.36
MEN1 O00255 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PDGFRB P09619 1/20 0.35
KDR P35968 1/20 0.35
MMP13 P45452 2/20 0.35
S1PR3 Q99500 1/20 0.35
POLB P06746 1/20 0.35
GPR119 Q8TDV5 1/20 0.34
LMNA P02545 2/20 0.34
IDO1 P14902 1/20 0.34
TDO2 P48775 1/20 0.34
IDO2 Q6ZQW0 1/20 0.34
TP53 P04637 1/20 0.34
KCNE1 P15382 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
SCHEMBL2207925 0.91 CYP2C9 (0.55) CYP2C9KCNH2SMN1; SMN2MEN1CYP2C19
SCHEMBL2203798 0.88 CYP2C9 (0.63) CYP2C9KCNH2MMP13LMNAKCNE1
SCHEMBL2206476 0.86 CYP2C9 (0.61) CYP2C9KCNH2MMP13KCNE1CCR1
SCHEMBL2208159 0.86 KCNH2 (0.45) CYP2C9KCNH2SMN1; SMN2MEN1CYP2C19
SCHEMBL2206302 0.86 CYP2C9 (0.63) CYP2C9KCNH2MMP13KCNE1CCR1
SCHEMBL2207437 0.86 CYP2C9 (0.61) CYP2C9KCNH2MMP13KCNE1CCR1
SCHEMBL1377062 0.85 CYP2C9 (0.77) CYP2C9KCNH2MMP13LMNATP53
SCHEMBL2208158 0.84 CYP2C9 (0.61) CYP2C9KCNH2MMP13KCNE1CCR1
SCHEMBL1376381 0.84 CYP2C9 (0.81) CYP2C9KCNH2MMP13POLBLMNA
SCHEMBL2207068 0.83 CYP2C9 (0.62) CYP2C9KCNH2MMP13KCNE1CCR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 2918/4885SMN1; SMN2 2699/4885
US-20090253681-A1 HIV Integrase Inhibitors REV1, INTS9, H1-10 CYP2C9 449/4885KCNH2 3625/4885SMN1; SMN2 3728/4885

“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.