SCHEMBL4807015

SCHEMBL4807015

CN(CCS(C)(=O)=O)Cc1cn(Cc2ccc(F)cc2F)c2cnc(C(=O)NO)cc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FSCN1 Q16658 1/20 0.35
HDAC6 Q9UBN7 4/20 0.35
HDAC1 Q13547 4/20 0.34
MET P08581 2/20 0.34
PDPK1 O15530 1/20 0.33
CHEK2 O96017 1/20 0.33
ABL1 P00519 1/20 0.33
EGFR P00533 1/20 0.33
ERBB2 P04626 1/20 0.33
NTRK1 P04629 1/20 0.33
PDGFRB P09619 1/20 0.33
KIT P10721 1/20 0.33
FGFR1 P11362 1/20 0.33
SRC P12931 1/20 0.33
PDGFRA P16234 1/20 0.33
FLT1 P17948 1/20 0.33
CSNK2A2 P19784 1/20 0.33
FGFR2 P21802 1/20 0.33
FGFR4 P22455 1/20 0.33
FGFR3 P22607 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
SCHEMBL2943310 0.87 HDAC1 (0.44) FSCN1HDAC6HDAC1METHDAC3
SCHEMBL4804663 0.84 GNRHR (0.43)
SCHEMBL2943245 0.83 FSCN1 (0.42) FSCN1HDAC6HDAC1METHDAC3
SCHEMBL4805673 0.82 HASPIN (0.38) FSCN1HDAC6HDAC1NTRK1MAPK14
SCHEMBL4811553 0.82 ICMT (0.40) FSCN1HDAC6HDAC1METNTRK1
SCHEMBL2949469 0.81 FSCN1 (0.42) FSCN1HDAC6HDAC1METNTRK1
SCHEMBL4800237 0.81 MEN1 (0.40) FSCN1HDAC6HDAC1METEGFR
SCHEMBL4804321 0.80 KDM4E (0.38) FSCN1HDAC6HDAC1METPDPK1
SCHEMBL5253761 0.80 FSCN1 (0.35) FSCN1HDAC6HDAC8PPARGHDAC4
SCHEMBL4932344 0.80 HDAC6 (0.42) FSCN1HDAC6HDAC1METNTRK1

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 6 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 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 FSCN1 4841/4885HDAC6 1926/4885HDAC1 626/4885

“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.