Sugi Predict

Sugi Predict / Compounds / SCHEMBL4832734

SCHEMBL4832734

SCHEMBL4832734

CNC(=O)c1cc(F)ccc1CNC(=O)c1nc2n(c(=O)c1O)CCCOC21CCOCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 1/20 0.41
▸ KCNH2 Q12809 1/20 0.40
▸ CALCA P06881 2/20 0.34
▸ MAPK1 P28482 1/20 0.33
▸ KCNK3 O14649 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ RIPK1 Q13546 1/20 0.33
▸ CNR2 P34972 1/20 0.33
▸ EGLN1 Q9GZT9 1/20 0.33
▸ KCNE1 P15382 1/20 0.33
▸ CCR1 P32246 1/20 0.33
▸ KCNQ1 P51787 1/20 0.33
▸ NTRK1 P04629 2/20 0.32
▸ P2RX7 Q99572 1/20 0.32
▸ LIPG Q9Y5X9 1/20 0.32
▸ JAK2 O60674 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ HPGD P15428 1/20 0.32

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
SCHEMBL3836900 0.91 CYP2C9 (0.40) CYP2C9KCNH2CALCAMAPK1KCNK3
SCHEMBL5013025 0.89 CYP2C9 (0.43) CYP2C9KCNH2CALCAMAPK1KCNK3
SCHEMBL4828893 0.88 CYP2C9 (0.40) CYP2C9KCNH2CALCAKCNK3MAPT
SCHEMBL4830816 0.88 KCNH2 (0.42) CYP2C9KCNH2CALCAKCNK3MAPT
SCHEMBL14064675 0.87 CYP2C9 (0.40) CYP2C9KCNH2CALCAKCNK3RIPK1
SCHEMBL4828757 0.86 KCNH2 (0.50) CYP2C9KCNH2CALCAMAPTKCNE1
SCHEMBL1378132 0.85 CYP2C9 (0.44) CYP2C9KCNH2CALCAMAPK1MAPT
SCHEMBL2528917 0.85 CYP2C9 (0.37) CYP2C9KCNH2MAPK1KCNK3CNR2
SCHEMBL4826931 0.84 CYP2C9 (0.38) CYP2C9KCNH2CALCAMAPTCNR2
SCHEMBL4826458 0.84 CYP2C9 (0.38) CYP2C9KCNH2CALCAMAPTCNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7419969-B2 HIV integrase inhibitors: cyclic pyrimidinone compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2008-09-02 — — US claimed
US-20060106007-A1 HIV integrase inhibitors: cyclic pyrimidinone compounds ROBERT BOSCH GMBH (DE) 2006-05-18 — — US claimed
US-7419969-B2 HIV integrase inhibitors: cyclic pyrimidinone compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2008-09-02 — — US disclosed
US-7419969-B2 HIV integrase inhibitors: cyclic pyrimidinone compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2008-09-02 — — US disclosed
US-7419969-B2 HIV integrase inhibitors: cyclic pyrimidinone compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2008-09-02 — — US disclosed
WO-2007058646-A1 HIV INTEGRASE INHIBITORS: CYCLIC PYRIMIDINONE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-24 — — WO disclosed
US-20060106007-A1 HIV integrase inhibitors: cyclic pyrimidinone compounds ROBERT BOSCH GMBH (DE) 2006-05-18 — — 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 (1 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-20060106007-A1 HIV integrase inhibitors: cyclic pyrimidinone compounds TYMP, TYMS, SAMHD1 CYP2C9 1079/4885KCNH2 3435/4885CALCA 2904/4885

“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.