SCHEMBL13778804

SCHEMBL13778804

Cc1c(CNC(=O)c2cn(Cc3ccc(F)cc3)c3cnc(C(=O)NO)cc23)cnn1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 1/20 0.41
MAPT P10636 3/20 0.41
TP53 P04637 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
FSCN1 Q16658 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
USP2 O75604 1/20 0.38
MAPK1 P28482 1/20 0.38
IDO1 P14902 1/20 0.38
KLKB1 P03952 3/20 0.38
MET P08581 1/20 0.38
PDE10A Q9Y233 1/20 0.37
POLB P06746 1/20 0.37
PDE4A P27815 2/20 0.37
PDE4B Q07343 2/20 0.37
PDE4C Q08493 2/20 0.37
PDE4D Q08499 2/20 0.37

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
SCHEMBL13778786 0.91 MMP13 (0.40) MMP13MAPTTP53NPSR1RXFP1
SCHEMBL13778791 0.90 MMP13 (0.40) MMP13MAPTTP53NPSR1RXFP1
SCHEMBL13778802 0.77 KCNH2 (0.49) SMN1; SMN2
SCHEMBL13778799 0.77 CHRNA7 (0.40) MMP13MAPTFSCN1MEN1KMT2A
SCHEMBL14541883 0.76 MMP13 (0.40) MMP13MAPTTP53RXFP1FSCN1
SCHEMBL14542133 0.75 MMP13 (0.44) MMP13MEN1KMT2AIDO1POLB
SCHEMBL13778808 0.75 ALDH1A1 (0.46) MEN1KMT2A
SCHEMBL13778805 0.74 KDM4E (0.46) SMN1; SMN2MEN1KMT2APOLB
SCHEMBL1684129 0.74 POLB (0.42) MMP13MAPTTP53MEN1KMT2A
SCHEMBL4166922 0.72 MEN1 (0.40) MMP13MAPTTP53RXFP1FSCN1

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
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 2378/4885MAPT 615/4885TP53 515/4885

“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.