SCHEMBL4904705

SCHEMBL4904705

CNCc1cn(Cc2ccc(F)cc2F)c2cnc(C(=O)NOC)cc12

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.41
PDE10A Q9Y233 1/20 0.39
FSCN1 Q16658 1/20 0.39
PARP1 P09874 2/20 0.39
PPARG P37231 7/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
KLKB1 P03952 1/20 0.37
NTRK1 P04629 3/20 0.36
PTGDR2 Q9Y5Y4 2/20 0.35
NAE1 Q13564 1/20 0.35
UBA3 Q8TBC4 1/20 0.35
SAE1 Q9UBE0 1/20 0.35
UBA2 Q9UBT2 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
SCHEMBL2946889 0.90 FSCN1 (0.42) METPDE10AFSCN1PPARGMEN1
SCHEMBL2949605 0.88 MET (0.39) METPDE10AFSCN1PPARGMEN1
SCHEMBL2948096 0.87 PDE10A (0.40) METPDE10AFSCN1PPARGMEN1
SCHEMBL5257090 0.85 MET (0.38) METPDE10AFSCN1PPARGMEN1
SCHEMBL4806235 0.85 HTR6 (0.42) METFSCN1
SCHEMBL2943245 0.81 FSCN1 (0.42) METPDE10AFSCN1PPARGPTGDR2
SCHEMBL4799406 0.81 LMNA (0.42) METPDE10AFSCN1MEN1KMT2A
SCHEMBL1684119 0.81 PPARG (0.51) METPPARG
SCHEMBL4811995 0.80 FSCN1 (0.39) METPDE10AFSCN1PPARGPTGDR2
SCHEMBL4804475 0.80 HDAC6 (0.37) METFSCN1PPARGMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080221154-A1 HIV-INTEGRASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR THEIR USE PFIZER INC 2008-09-11 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-20080221154-A1 HIV-INTEGRASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR THEIR USE TYMP, IMPDH1, POLB MET 4102/4885PDE10A 1453/4885FSCN1 4791/4885

“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.