Sugi Predict

Sugi Predict / Compounds / SCHEMBL2204736

SCHEMBL2204736

SCHEMBL2204736

CC1(C)c2nc(C(=O)NCc3ccc(F)cc3)c(O)c(=O)n2CCN1CC(=O)N1CCCC1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 1/20 0.50
▸ KCNH2 Q12809 1/20 0.48
▸ CALCA P06881 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ KCNE1 P15382 1/20 0.40
▸ CCR1 P32246 1/20 0.40
▸ KCNQ1 P51787 1/20 0.40
▸ MAPT P10636 1/20 0.39
▸ GAA P10253 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ ERCC1 P07992 1/20 0.38
▸ FEN1 P39748 1/20 0.38
▸ ERCC4 Q92889 1/20 0.38
▸ TP53 P04637 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ LIPG Q9Y5X9 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ MAPK1 P28482 1/20 0.37

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
SCHEMBL2209957 0.93 KCNH2 (0.45) CYP2C9KCNH2CALCASMN1; SMN2KCNE1
SCHEMBL2208862 0.93 KCNH2 (0.45) CYP2C9KCNH2CALCASMN1; SMN2KCNE1
SCHEMBL2206750 0.89 KCNH2 (0.49) CYP2C9KCNH2CALCASMN1; SMN2KCNE1
SCHEMBL2206416 0.89 KCNH2 (0.48) CYP2C9KCNH2CALCASMN1; SMN2KCNE1
SCHEMBL2206415 0.88 KCNH2 (0.47) CYP2C9KCNH2CALCASMN1; SMN2KCNE1
SCHEMBL2204728 0.87 CYP2C9 (0.53) CYP2C9KCNH2CALCASMN1; SMN2KCNE1
SCHEMBL2204703 0.87 KCNH2 (0.48) CYP2C9KCNH2CALCASMN1; SMN2KCNE1
SCHEMBL2202493 0.85 KCNH2 (0.46) CYP2C9KCNH2CALCASMN1; SMN2KCNE1
SCHEMBL12433022 0.84 KCNH2 (0.47) CYP2C9KCNH2CALCASMN1; SMN2KCNE1
SCHEMBL2204745 0.84 KCNH2 (0.47) CYP2C9KCNH2CALCASMN1; SMN2KCNE1

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-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 2918/4885CALCA 3966/4885
US-20090253681-A1 HIV Integrase Inhibitors REV1, INTS9, H1-10 CYP2C9 449/4885KCNH2 3625/4885CALCA 3699/4885

“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.