SCHEMBL2616802

SCHEMBL2616802

CCCCc1c(C)noc1C

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
GAA P10253 2/20 0.42
TP53 P04637 1/20 0.42
TLR8 Q9NR97 2/20 0.41
TLR7 Q9NYK1 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
BRD4 O60885 2/20 0.38
ALDH1A1 P00352 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TAS2R8 Q9NYW2 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL18647926 0.93 TLR8 (0.42) LMNAGAATP53TLR8TLR7
SCHEMBL22459185 0.91 TLR8 (0.41) LMNAGAATP53TLR8TLR7
SCHEMBL19570217 0.91 TLR8 (0.41) LMNAGAATP53TLR8TLR7
SCHEMBL18898429 0.91 TLR8 (0.41) LMNAGAATP53TLR8TLR7
SCHEMBL8237746 0.88 LMNA (0.44) LMNAGAASMN1; SMN2CRHBPCRHR2
SCHEMBL14759391 0.80 LMNA (0.42) LMNAGAATLR8SMN1; SMN2CRHBP
SCHEMBL2238495 0.79 LMNA (0.48) LMNAGAASMN1; SMN2CRHBPCRHR2
SCHEMBL3189527 0.78 TLR8 (0.42) GAATP53TLR8TLR7ALDH1A1
SCHEMBL2056168 0.78
SCHEMBL1580004 0.77 LMNA (0.43) LMNAGAASMN1; SMN2CRHBPCRHR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11026926-B2 Substituted bicyclic compounds as bromodomain inhibitors ZENITH EPIGENETICS LTD. (CA) 2021-06-08 US disclosed
US-20190216782-A1 NOVEL SUBSTITUTED BICYCLIC COMPOUNDS AS BROMODOMAIN INHIBITORS ZENITH EPIGENETICS LTD. (CA) 2019-07-18 US disclosed
US-8163756-B2 For example,1-(3-t-butyl-1- (1,2,3,4-tetrahydro- isoquinolin-6-yl)-1H- pyrazol-5-yl)-3-(3- cyanophenyl)urea; for treatment of mammalian cancers and inflammatory diseases including rheumatoid arthritis, retinopathies DECIPHERA PHARMACEUTICALS, LLC (US) 2012-04-24 US disclosed
US-20110306597-A1 Nicotinamide Derivatives CRAWFORTH JAMES MICHAEL (GB) 2011-12-15 US disclosed
US-20080113967-A1 ENZYME MODULATORS AND TREATMENTS DECIPHERA PHARMACEUTICALS, LLC (US) 2008-05-15 US disclosed
US-20070078121-A1 Enzyme modulators and treatments DECIPHERA PHARMACEUTICALS, LLC 2007-04-05 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 (5 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-11026926-B2 Substituted bicyclic compounds as bromodomain inhibitors BRD4, BRD3, BRD2 LMNA 2150/4885GAA 3664/4885TP53 273/4885
US-20110306597-A1 Nicotinamide Derivatives NNT, NAMPT, NQO1 LMNA 1347/4885GAA 887/4885TP53 3035/4885
US-20070078121-A1 Enzyme modulators and treatments ABL1, ABL2, LCK LMNA 4717/4885GAA 566/4885TP53 214/4885
US-20190216782-A1 NOVEL SUBSTITUTED BICYCLIC COMPOUNDS AS BROMODOMAIN INHIBITORS BRD4, BRD3, BRD2 LMNA 2533/4885GAA 3620/4885TP53 361/4885
US-20080113967-A1 ENZYME MODULATORS AND TREATMENTS ABL2, BRAF, MAP3K1 LMNA 4046/4885GAA 759/4885TP53 285/4885

“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.