SCHEMBL2207952

SCHEMBL2207952

Cc1ccc(CNC(=O)c2nc3n(c(=O)c2O)CCN(C2CC2)CC3N(C)C(=O)C(=O)N(C)C)cc1Cl

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.60
KCNH2 Q12809 1/20 0.47
WDR5 P61964 2/20 0.37
HRH3 Q9Y5N1 1/20 0.37
CXCR3 P49682 11/20 0.37
CCR3 P51677 2/20 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
SCHEMBL2208925 0.93 CYP2C9 (0.62) CYP2C9KCNH2WDR5HRH3CXCR3
SCHEMBL2206302 0.91 CYP2C9 (0.63) CYP2C9KCNH2WDR5CXCR3CCR3
SCHEMBL2208676 0.91 CYP2C9 (0.60) CYP2C9KCNH2WDR5
SCHEMBL1376452 0.89 CYP2C9 (0.73) CYP2C9KCNH2WDR5HRH3
SCHEMBL1378080 0.88 CYP2C9 (0.77) CYP2C9KCNH2WDR5HRH3
SCHEMBL2207925 0.86 CYP2C9 (0.55) CYP2C9KCNH2WDR5
SCHEMBL2208600 0.85 CYP2C9 (0.80) CYP2C9KCNH2HRH3CXCR3
SCHEMBL2205295 0.85 CYP2C9 (0.59) CYP2C9KCNH2WDR5
SCHEMBL2206768 0.83 CYP2C9 (0.62) CYP2C9KCNH2WDR5CXCR3
SCHEMBL1379153 0.81 CYP2C9 (0.76) CYP2C9KCNH2WDR5

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-20110257162-A1 HIV INTEGRASE INHIBITORS SUMMA VINCENZO 2011-10-20 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 2918/4885WDR5 2157/4885
US-20090253681-A1 HIV Integrase Inhibitors REV1, INTS9, H1-10 CYP2C9 449/4885KCNH2 3625/4885WDR5 2413/4885

“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.