SCHEMBL4158936

SCHEMBL4158936

COC(=O)c1cc2c(N)cn(Cc3ccc(F)cc3)c2cn1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.43
HSP90B1 P14625 1/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
GRM2 Q14416 3/20 0.42
POLB P06746 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
TP53 P04637 1/20 0.40
THRB P10828 1/20 0.40
MAOB P27338 1/20 0.40
MMP13 P45452 1/20 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
SCHEMBL13778776 0.88 POLB (0.49) MAPTMEN1KMT2APOLBHDAC3
SCHEMBL4166109 0.86 IDO1 (0.46) MAPTMEN1KMT2APOLBTP53
SCHEMBL4799336 0.86 MAPT (0.42) HSP90AA1HSP90B1MAPTMEN1KMT2A
SCHEMBL14542133 0.86 MMP13 (0.44) MEN1KMT2APOLBHDAC3HDAC1
SCHEMBL4802889 0.85 ALDH1A1 (0.55) HSP90AA1HSP90B1MAPTMEN1KMT2A
SCHEMBL4806657 0.85 MEN1 (0.43) HSP90AA1HSP90B1MAPTMEN1KMT2A
SCHEMBL4162951 0.84 SMN1; SMN2 (0.42) HSP90AA1HSP90B1MAPTMEN1KMT2A
SCHEMBL4170178 0.83 SMN1; SMN2 (0.48) HSP90AA1HSP90B1MAPTMEN1KMT2A
SCHEMBL4165398 0.83 HDAC1 (0.45) HSP90AA1HSP90B1MAPTMEN1KMT2A
SCHEMBL4800004 0.81 MEN1 (0.40) MAPTMEN1KMT2ATHRBMAOB

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 3 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 disclosed
EP-1943249-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME Pfizer Products Incorporated (US) 2008-07-16 EP 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 HSP90AA1 3697/4885HSP90B1 2400/4885MAPT 615/4885

“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.