SCHEMBL2207925

SCHEMBL2207925

Cc1ccc(CNC(=O)c2nc3n(c(=O)c2O)CCN(C(=O)OC(C)(C)C)CC3N(C)C(=O)C(=O)N(C)C)cc1Cl

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.55
KCNH2 Q12809 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
POLB P06746 1/20 0.36
TP53 P04637 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP2C19 P33261 1/20 0.36
WDR5 P61964 1/20 0.35
LMNA P02545 2/20 0.35
METTL3 Q86U44 1/20 0.34
MAPT P10636 1/20 0.34
P2RX7 Q99572 1/20 0.34
VEGFA P15692 1/20 0.33
EGLN1 Q9GZT9 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
SCHEMBL2208259 0.91 CYP2C9 (0.58) CYP2C9KCNH2SMN1; SMN2HTTNPSR1
SCHEMBL2208676 0.88 CYP2C9 (0.60) CYP2C9KCNH2KMT2AWDR5LMNA
SCHEMBL2204214 0.86 KCNH2 (0.42) CYP2C9KCNH2SMN1; SMN2HTTNPSR1
SCHEMBL2207952 0.86 CYP2C9 (0.60) CYP2C9KCNH2WDR5
SCHEMBL1376452 0.84 CYP2C9 (0.73) CYP2C9KCNH2TP53WDR5LMNA
SCHEMBL1378080 0.84 CYP2C9 (0.77) CYP2C9KCNH2SMN1; SMN2POLBTP53
SCHEMBL2205295 0.82 CYP2C9 (0.59) CYP2C9KCNH2WDR5
SCHEMBL2206768 0.80 CYP2C9 (0.62) CYP2C9KCNH2WDR5
SCHEMBL2208925 0.80 CYP2C9 (0.62) CYP2C9KCNH2WDR5
SCHEMBL2206574 0.78 CYP2C9 (0.75) CYP2C9KCNH2SMN1; SMN2NPSR1MEN1

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.