SCHEMBL13778786

SCHEMBL13778786

CONC(=O)c1cc2c(C(=O)NCc3cnn(C)c3C)cn(Cc3ccc(F)cc3)c2cn1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 1/20 0.40
KLKB1 P03952 7/20 0.39
PDE10A Q9Y233 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TP53 P04637 3/20 0.38
RXFP1 Q9HBX9 2/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MET P08581 2/20 0.38
FSCN1 Q16658 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL13778804 0.91 MMP13 (0.41) MMP13KLKB1PDE10AMEN1KMT2A
SCHEMBL13778791 0.87 MMP13 (0.40) MMP13KLKB1PDE10AMEN1KMT2A
SCHEMBL4166922 0.82 MEN1 (0.40) MMP13KLKB1PDE10AMEN1KMT2A
SCHEMBL4163667 0.81 MEN1 (0.42) MMP13PDE10AMEN1KMT2AMAPT
SCHEMBL13778782 0.79 KCNH2 (0.46) LMNASMN1; SMN2
SCHEMBL14542135 0.77 IKBKB (0.39) MEN1KMT2ALMNASMN1; SMN2MET
SCHEMBL13778784 0.76 L3MBTL1 (0.47) MAPTSMN1; SMN2MET
SCHEMBL13778783 0.76 DRD2 (0.47) MEN1KMT2A
SCHEMBL4805963 0.75 MMP13 (0.41) MMP13KLKB1MEN1KMT2AMAPT
SCHEMBL13778836 0.75 GALK1 (0.36)

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 2 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
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 MMP13 2378/4885KLKB1 1834/4885PDE10A 2355/4885

“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.