SCHEMBL4160989

SCHEMBL4160989

CC(C)NC(=O)c1cn(Cc2ccc(F)cc2)c2cnc(C(=O)N(C)O)cc12

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
THRB P10828 2/20 0.41
POLB P06746 1/20 0.41
FSCN1 Q16658 1/20 0.41
PDE4A P27815 2/20 0.40
PDE4B Q07343 2/20 0.40
PDE4C Q08493 2/20 0.40
PDE4D Q08499 2/20 0.40
PDE10A Q9Y233 2/20 0.39
IDO1 P14902 1/20 0.39
MMP13 P45452 1/20 0.39
PRNP P04156 1/20 0.39
MAPT P10636 1/20 0.39
SERPINE1 P05121 1/20 0.39
CNR1 P21554 2/20 0.39
CNR2 P34972 2/20 0.39

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
SCHEMBL1684180 0.87 MEN1 (0.40) MEN1KMT2ATHRBPOLBFSCN1
SCHEMBL4163667 0.86 MEN1 (0.42) MEN1KMT2ATHRBPOLBFSCN1
SCHEMBL13778792 0.82 CNR1 (0.40) MEN1KMT2APOLBFSCN1PRNP
SCHEMBL13778787 0.82 FSCN1 (0.39) MEN1KMT2AFSCN1PDE4APDE4B
SCHEMBL4170043 0.81 CHRM1 (0.50) POLB
SCHEMBL4798568 0.81 THRB (0.39) THRBPOLBPDE4APDE4BPDE4C
SCHEMBL14541883 0.81 MMP13 (0.40) MEN1KMT2ATHRBPOLBFSCN1
SCHEMBL13778791 0.81 MMP13 (0.40) MEN1KMT2APOLBFSCN1PDE4A
SCHEMBL1684246 0.80 POLB (0.40) MEN1KMT2ATHRBPOLBFSCN1
SCHEMBL13778809 0.80 CNR2 (0.48) CNR2

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-20090170846-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC 2009-07-02 US claimed
EP-1943249-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME Pfizer Products Incorporated (US) 2008-07-16 EP claimed
WO-2007039802-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER PRODUCTS INC. (US) 2007-04-12 WO claimed
US-20090170846-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC 2009-07-02 US disclosed
US-20090170846-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC 2009-07-02 US disclosed
US-20090170846-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC 2009-07-02 US disclosed
WO-2007039802-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER PRODUCTS INC. (US) 2007-04-12 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-20090170846-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME IMPDH1, IMPA1, TYMP MEN1 4721/4885KMT2A 1368/4885THRB 3753/4885

“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.