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SCHEMBL2207437

SCHEMBL2207437

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

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 1/20 0.61
▸ KCNH2 Q12809 1/20 0.48
▸ MMP13 P45452 8/20 0.37
▸ KCNE1 P15382 1/20 0.34
▸ CCR1 P32246 1/20 0.34
▸ KCNQ1 P51787 1/20 0.34
▸ MMP10 P09238 3/20 0.33
▸ MMP8 P22894 3/20 0.33
▸ CALCA P06881 2/20 0.32
▸ WDR5 P61964 1/20 0.32
▸ SCD O00767 1/20 0.32
▸ MMP9 P14780 1/20 0.32
▸ HCRTR1 O43613 1/20 0.31
▸ HCRTR2 O43614 1/20 0.31
▸ HRH3 Q9Y5N1 1/20 0.30

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
SCHEMBL2203798 0.90 CYP2C9 (0.63) CYP2C9KCNH2MMP13KCNE1CCR1
SCHEMBL2204999 0.90 CYP2C9 (0.74) CYP2C9KCNH2KCNE1CCR1KCNQ1
SCHEMBL2206476 0.89 CYP2C9 (0.61) CYP2C9KCNH2MMP13KCNE1CCR1
SCHEMBL2206302 0.88 CYP2C9 (0.63) CYP2C9KCNH2MMP13KCNE1CCR1
SCHEMBL1377062 0.87 CYP2C9 (0.77) CYP2C9KCNH2MMP13KCNE1CCR1
SCHEMBL2208158 0.87 CYP2C9 (0.61) CYP2C9KCNH2MMP13KCNE1CCR1
SCHEMBL1376381 0.86 CYP2C9 (0.81) CYP2C9KCNH2MMP13KCNE1CCR1
SCHEMBL2208259 0.86 CYP2C9 (0.58) CYP2C9KCNH2MMP13KCNE1CCR1
SCHEMBL2207068 0.85 CYP2C9 (0.62) CYP2C9KCNH2MMP13KCNE1CCR1
SCHEMBL3504821 0.83 CYP2C9 (0.63) 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 9 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-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 2918/4885MMP13 4032/4885
US-20090253681-A1 HIV Integrase Inhibitors REV1, INTS9, H1-10 CYP2C9 449/4885KCNH2 3625/4885MMP13 4032/4885

“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.