Sugi Predict

Sugi Predict / Compounds / SCHEMBL1750834

SCHEMBL1750834

SCHEMBL1750834

C[C@@H](c1ccccc1)N(C(=O)C(F)(F)F)C1CCCn2c1nc(C(=O)NCc1ccc(F)cc1)c(O)c2=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.64
▸ CYP2C9 P11712 1/20 0.61
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ CALCA P06881 1/20 0.38
▸ KCNE1 P15382 1/20 0.37
▸ CCR1 P32246 1/20 0.37
▸ KCNQ1 P51787 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ MAPT P10636 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ OPRL1 P41146 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ HMGCR P04035 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ ERCC1 P07992 1/20 0.35
▸ FEN1 P39748 1/20 0.35
▸ ERCC4 Q92889 1/20 0.35

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
SCHEMBL1749201 0.87 CYP2C9 (0.71) KCNH2CYP2C9SMN1; SMN2ALDH1A1CALCA
SCHEMBL1378091 0.82 KCNH2 (0.81) KCNH2CYP2C9SMN1; SMN2ALDH1A1CALCA
SCHEMBL1379533 0.82 KCNH2 (0.72) KCNH2CYP2C9SMN1; SMN2ALDH1A1CALCA
SCHEMBL2634232 0.82 CYP2C9 (0.80) KCNH2CYP2C9SMN1; SMN2ALDH1A1CALCA
SCHEMBL1378294 0.80 CYP2C9 (0.80) KCNH2CYP2C9SMN1; SMN2ALDH1A1CALCA
SCHEMBL1378474 0.79 CYP2C9 (0.81) KCNH2CYP2C9SMN1; SMN2ALDH1A1CALCA
SCHEMBL1750397 0.79 CYP2C9 (0.61) KCNH2CYP2C9SMN1; SMN2ALDH1A1CALCA
SCHEMBL1375891 0.79 KCNH2 (0.86) KCNH2CYP2C9SMN1; SMN2ALDH1A1CALCA
SCHEMBL12529638 0.79 CYP2C9 (0.77) KCNH2CYP2C9SMN1; SMN2ALDH1A1CALCA
SCHEMBL1749374 0.79 CYP2C9 (0.95) KCNH2CYP2C9SMN1; SMN2ALDH1A1CALCA

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 12 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 claimed
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 claimed
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 claimed
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-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-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-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-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-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 754/4885SMN1; SMN2 2355/4885
US-20080176869-A1 Tetrahydro-4H-pyrido[1,2-a] pyrimidines useful as HIV integrase inhibitors TYMS, TYMP, DPYD KCNH2 3301/4885CYP2C9 740/4885SMN1; SMN2 2224/4885

“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.