SCHEMBL4804475

SCHEMBL4804475

NC(=O)CNCc1cn(Cc2ccc(F)cc2F)c2cnc(C(=O)NO)cc12

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 5/20 0.37
HDAC1 Q13547 4/20 0.37
HDAC4 P56524 1/20 0.37
MET P08581 1/20 0.36
FSCN1 Q16658 1/20 0.36
PPARG P37231 5/20 0.36
HDAC3 O15379 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
AURKA O14965 1/20 0.35
RPS6KB1 P23443 1/20 0.35
AURKB Q96GD4 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
KLKB1 P03952 1/20 0.34
ICMT O60725 1/20 0.34
JAK3 P52333 1/20 0.33
NTRK1 P04629 1/20 0.33

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
SCHEMBL4800089 0.88 HASPIN (0.41) HDAC6HDAC1HDAC4FSCN1PPARG
SCHEMBL4801984 0.88 HDAC1 (0.37) HDAC6HDAC1HDAC4METFSCN1
SCHEMBL4807596 0.86 PPARG (0.38) HDAC6HDAC1HDAC4METFSCN1
SCHEMBL4806355 0.86 CHEK1 (0.46) HDAC1FSCN1PPARGHDAC7KMT2A
SCHEMBL2949469 0.86 FSCN1 (0.42) HDAC6HDAC1HDAC4METFSCN1
SCHEMBL2943245 0.86 FSCN1 (0.42) HDAC6HDAC1HDAC4METFSCN1
SCHEMBL4800237 0.85 MEN1 (0.40) HDAC6HDAC1HDAC4METFSCN1
SCHEMBL4799272 0.84 KMT2A (0.42) HDAC6HDAC1HDAC4FSCN1PPARG
SCHEMBL4805408 0.84 KDM4E (0.39) HDAC6HDAC1METFSCN1HDAC3
SCHEMBL4932344 0.84 HDAC6 (0.42) HDAC6HDAC1HDAC4METFSCN1

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 10 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
EP-1756103-A2 PYRROLOPYRIDINE DERIVATIVES AND THEIR USE AS HIV-INTEGRASE INHIBITORS Pfizer, Inc. (US) 2007-02-28 EP claimed
US-20050277662-A1 Inhibitors of the HIV integrase enzyme AGOURON PHARMACEUTICALS, INC 2005-12-15 US claimed
WO-2005103003-A2 PYRROLOPYRIDINE DERIVATIVES AND THEIR USE AS HIV-INTEGRASE INHIBITORS PFIZER INC. (US) 2005-11-03 WO 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 HDAC6 1926/4885HDAC1 626/4885HDAC4 1960/4885

“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.