Sugi Predict

Sugi Predict / Compounds / SCHEMBL4798568

SCHEMBL4798568

SCHEMBL4798568

COCc1cn(Cc2ccc(F)cc2)c2cnc(C(=O)N(C)O)cc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 2/20 0.39
▸ PPARD Q03181 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ MAPT P10636 3/20 0.38
▸ PDE4A P27815 1/20 0.38
▸ PDE4B Q07343 1/20 0.38
▸ PDE4C Q08493 1/20 0.38
▸ PDE4D Q08499 1/20 0.38
▸ MMP13 P45452 1/20 0.37
▸ CACNB4 O00305 1/20 0.37
▸ CACNA1A O00555 1/20 0.37
▸ CACNA1G O43497 1/20 0.37
▸ CACNG3 O60359 1/20 0.37
▸ CACNA1F O60840 1/20 0.37
▸ CACNA1H O95180 1/20 0.37
▸ CACNB3 P54284 1/20 0.37
▸ CACNA2D1 P54289 1/20 0.37
▸ CACNG7 P62955 1/20 0.37
▸ CACNA1B Q00975 1/20 0.37
▸ CACNA1D Q01668 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
SCHEMBL4806397 0.92 PPARD (0.38) THRBPPARDPOLBMAPTPDE4A
SCHEMBL4802909 0.89 MMP13 (0.43) THRBPPARDPOLBMAPTPDE4A
SCHEMBL4806657 0.88 MEN1 (0.43) THRBPPARDPOLBMAPTMMP13
SCHEMBL4805779 0.88 THRB (0.41) THRBPPARDPOLBMAPTPDE4A
SCHEMBL4809910 0.85 PPARD (0.38) THRBPPARDPOLBMAPTMMP13
SCHEMBL4803423 0.84 PDE1A (0.40) THRBPPARDPOLBMAPTPRNP
SCHEMBL4805325 0.84 CACNB4 (0.47) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL5520368 0.82 CACNB4 (0.46) MAPTCACNB4CACNA1ACACNA1GCACNG3
SCHEMBL4799868 0.81 EGFR (0.37) PPARDPOLBMAPTCACNB4CACNA1A
SCHEMBL1684265 0.81 RXFP1 (0.41) THRBPOLBMAPTMMP13PRNP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7468375-B2 Inhibitors of the HIV integrase enzyme PFIZER INC. (US) 2008-12-23 — — US claimed
US-20050277662-A1 Inhibitors of the HIV integrase enzyme AGOURON PHARMACEUTICALS, INC 2005-12-15 — — US claimed
US-7468375-B2 Inhibitors of the HIV integrase enzyme PFIZER INC. (US) 2008-12-23 — — US disclosed
US-7468375-B2 Inhibitors of the HIV integrase enzyme PFIZER INC. (US) 2008-12-23 — — US disclosed
US-7468375-B2 Inhibitors of the HIV integrase enzyme PFIZER INC. (US) 2008-12-23 — — US disclosed
EP-1756103-A2 PYRROLOPYRIDINE DERIVATIVES AND THEIR USE AS HIV-INTEGRASE INHIBITORS Pfizer, Inc. (US) 2007-02-28 — — EP disclosed
US-20050277662-A1 Inhibitors of the HIV integrase enzyme AGOURON PHARMACEUTICALS, INC 2005-12-15 — — US disclosed
WO-2005103003-A2 PYRROLOPYRIDINE DERIVATIVES AND THEIR USE AS HIV-INTEGRASE INHIBITORS PFIZER INC. (US) 2005-11-03 — — WO 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-20050277662-A1 Inhibitors of the HIV integrase enzyme IMPDH1, INTS9, TYMP THRB 3656/4885PPARD 3557/4885POLB 34/4885

“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.