SCHEMBL13947741

SCHEMBL13947741

CCc1cn(C)c(=O)c2c(O)c(C(=O)NCc3ccc(F)cc3)nn12

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.51
LIPG Q9Y5X9 1/20 0.47
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
THRB P10828 1/20 0.41
KCNE1 P15382 1/20 0.41
CCR1 P32246 1/20 0.41
KCNQ1 P51787 1/20 0.41
USP2 O75604 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
RCE1 Q9Y256 1/20 0.40
TP53 P04637 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
PKM P14618 1/20 0.39
PDE10A Q9Y233 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
SCHEMBL4203022 0.88 SMN1; SMN2 (0.53) SMN1; SMN2LIPGMEN1KMT2AL3MBTL1
SCHEMBL4203809 0.78 MEN1 (0.61) SMN1; SMN2LIPGMEN1KMT2AL3MBTL1
SCHEMBL1150428 0.72 LIPG (0.58) SMN1; SMN2LIPGMEN1KMT2AL3MBTL1
SCHEMBL823484 0.68 LIPG (0.53) SMN1; SMN2LIPGMEN1KMT2AL3MBTL1
SCHEMBL5644823 0.68 LIPG (0.53) SMN1; SMN2LIPGMEN1KMT2AL3MBTL1
SCHEMBL5519468 0.68 LIPG (0.88) SMN1; SMN2LIPGMEN1KMT2AL3MBTL1
SCHEMBL7048893 0.68 KCNE1 (0.55) SMN1; SMN2LIPGMEN1KMT2AL3MBTL1
SCHEMBL27635508 0.68 KCNE1 (0.55) SMN1; SMN2LIPGMEN1KMT2AL3MBTL1
SCHEMBL4390342 0.67 KCNH2 (0.54) SMN1; SMN2LIPGMEN1KMT2AL3MBTL1
SCHEMBL3525272 0.67 LIPG (0.60) SMN1; SMN2LIPGMEN1KMT2AL3MBTL1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7476666-B2 HIV integrase inhibitors MERCK & CO., INC. (US) 2009-01-13 US disclosed
US-7476666-B2 HIV integrase inhibitors MERCK & CO., INC. (US) 2009-01-13 US disclosed
US-20080015187-A1 Hiv Integrase Inhibitors MERCK SHARP & DOHME CORP. 2008-01-17 US disclosed
US-20080015187-A1 Hiv Integrase Inhibitors MERCK SHARP & DOHME CORP. 2008-01-17 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-20080015187-A1 Hiv Integrase Inhibitors REV1, ZC3HAV1, PNP SMN1; SMN2 4093/4885LIPG 4242/4885MEN1 4287/4885

“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.