Sugi Predict

Sugi Predict / Compounds / SCHEMBL1749463

SCHEMBL1749463

SCHEMBL1749463

CON(C)C1CCn2c(nc(C(=O)NCc3ccc(F)cc3)c(O)c2=O)C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 2/20 0.55
▸ CYP2C9 P11712 1/20 0.55
▸ MAPT P10636 1/20 0.43
▸ KCNE1 P15382 1/20 0.42
▸ CCR1 P32246 1/20 0.42
▸ KCNQ1 P51787 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ LIPG Q9Y5X9 1/20 0.39
▸ CALCA P06881 1/20 0.39
▸ HRH3 Q9Y5N1 3/20 0.39
▸ GAA P10253 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ ERCC1 P07992 1/20 0.38
▸ FEN1 P39748 1/20 0.38

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
SCHEMBL1375850 0.91 KCNH2 (0.58) KCNH2CYP2C9MAPTKCNE1CCR1
SCHEMBL1376866 0.89 CYP2C9 (0.57) KCNH2CYP2C9MAPTKCNE1CCR1
SCHEMBL1748987 0.83 KCNH2 (0.54) KCNH2CYP2C9MAPTKCNE1CCR1
SCHEMBL1750602 0.77 MAPT (0.63) KCNH2CYP2C9MAPTLMNACALCA
SCHEMBL1376535 0.77 MAPT (0.61) KCNH2CYP2C9MAPTLMNACALCA
SCHEMBL87440 0.77 KCNH2 (0.49) KCNH2CYP2C9MAPTKCNE1CCR1
SCHEMBL12529840 0.77 CYP2C9 (0.56) KCNH2CYP2C9MAPTKCNE1CCR1
SCHEMBL1378276 0.77 CYP2C9 (0.56) KCNH2CYP2C9MAPTKCNE1CCR1
SCHEMBL87844 0.77 KCNH2 (0.52) KCNH2CYP2C9MAPTKCNE1CCR1
SCHEMBL2208272 0.77 KCNH2 (0.53) KCNH2CYP2C9MAPTKCNE1CCR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7968553-B2 e.g. N-(4-fluorobenzyl)-3-hydroxy-4-oxo-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidine-2-carboxamide; viricide in combination with other HIV/AIDS antivirals, immunomodulators, antibiotics or vaccines; AIDS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2011-06-28 — — US disclosed
US-7414045-B2 Substituted pyrimido[1,2-a]azepines useful as HIV integrase inhibitors ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2008-08-19 — — US disclosed
US-20080176869-A1 Tetrahydro-4H-pyrido[1,2-a] pyrimidines useful as HIV integrase inhibitors MSD ITALIA S.R.L. (IT) 2008-07-24 — — US disclosed
US-20060046985-A1 Tetrahydro--4h-pyrido[1,2-a}pyrimidines and related compounds useful as hiv integrase inhibitors MSD ITALIA S.R.L. (IT) 2006-03-02 — — 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-20060046985-A1 Tetrahydro--4h-pyrido[1,2-a}pyrimidines and related compounds useful as hiv integrase inhibitors TYMS, TYMP, HPRT1 KCNH2 3284/4885CYP2C9 754/4885MAPT 1213/4885
US-20080176869-A1 Tetrahydro-4H-pyrido[1,2-a] pyrimidines useful as HIV integrase inhibitors TYMS, TYMP, DPYD KCNH2 3301/4885CYP2C9 740/4885MAPT 1773/4885

“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.