SCHEMBL6094922

SCHEMBL6094922

Cc1cc(CNC(=O)c2nc(N3CCN(c4ccccc4)CC3)n(C)c(=O)c2O)ccc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 2/20 0.43
MYC P01106 4/20 0.42
WDR5 P61964 4/20 0.42
HTR2A P28223 4/20 0.41
HTR2C P28335 4/20 0.41
HTR2B P41595 3/20 0.41
KCNE1 P15382 1/20 0.40
CCR1 P32246 1/20 0.40
KCNQ1 P51787 1/20 0.40
KMT2A Q03164 3/20 0.40
RIPK1 Q13546 1/20 0.40
MEN1 O00255 2/20 0.39
GFER P55789 1/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 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
SCHEMBL6093967 0.90 MMP13 (0.47) MMP13KCNE1CCR1KCNQ1KMT2A
SCHEMBL6095011 0.89 MMP13 (0.44) MMP13MYCWDR5KCNE1CCR1
SCHEMBL6096003 0.89 MMP13 (0.45) MMP13KCNE1CCR1KCNQ1ALDH1A1
SCHEMBL6094909 0.89 MMP13 (0.44) MMP13KCNE1CCR1KCNQ1ALDH1A1
SCHEMBL6093906 0.88 GRM5 (0.44) MMP13HTR2AHTR2CKCNE1CCR1
SCHEMBL6094863 0.88 MEN1 (0.52) HTR2AHTR2CHTR2BKCNE1CCR1
SCHEMBL6094065 0.88 MMP13 (0.45) MMP13KCNE1CCR1KCNQ1KMT2A
SCHEMBL6095046 0.88 MMP13 (0.43) MMP13KCNE1CCR1KCNQ1KMT2A
SCHEMBL6094348 0.88 MMP13 (0.44) MMP13MYCWDR5KCNE1CCR1
SCHEMBL6093733 0.88 SOS1 (0.47) MMP13KCNE1CCR1KCNQ1

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-7135467-B2 Pyrimidine carboxamides; 5-hydroxy-2-(2-(1,1-Dioxo-6-[1,2]thiazinan-2-yl)-6-oxo-1,6-dihydropyrimidine-4-carboxamides; AIDS; AIDS related complex BRISTOL-MYERS SQUIBB COMPANY (US) 2006-11-14 US disclosed
US-20040204498-A1 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-10-14 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-20040204498-A1 HIV integrase inhibitors IMPDH1, TYMP, REV1 MMP13 4367/4885MYC 1420/4885WDR5 3742/4885

“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.