SCHEMBL2116777

SCHEMBL2116777

CC(=O)Nc1cc(-c2cccc3ccccc23)c2nc(C#N)ccc2c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.49
KLK7 P49862 1/20 0.49
POLB P06746 1/20 0.41
EGLN2 Q96KS0 1/20 0.41
SOS2 Q07890 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
SRC P12931 1/20 0.39
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
MAOA P21397 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ESRRA P11474 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
XDH P47989 1/20 0.37
CHEK1 O14757 1/20 0.37
CSNK2A1 P68400 1/20 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
SCHEMBL3435630 0.94 ALOX15 (0.44) ALOX15KLK7POLBEGLN2SOS2
SCHEMBL2115951 0.86 ALDH1A1 (0.46) ALOX15POLBKMT2ASRCNPC1
SCHEMBL2118629 0.77 KLK7 (0.46) ALOX15KLK7POLBMEN1KMT2A
SCHEMBL2118631 0.77 KLK7 (0.46) ALOX15KLK7POLBMEN1KMT2A
SCHEMBL2117674 0.76 SOS2 (0.43) ALOX15POLBSOS2MEN1KMT2A
SCHEMBL2115464 0.76 SOS2 (0.43) ALOX15POLBSOS2MEN1KMT2A
SCHEMBL2118311 0.76 PIM1 (0.46) ALOX15POLBSOS2MEN1KMT2A
SCHEMBL13689539 0.75 KLK7 (0.44) ALOX15KLK7POLBMEN1KMT2A
SCHEMBL2116276 0.74 CTSB (0.43) SOS2MEN1KMT2ANPC1ALDH1A1
SCHEMBL2116251 0.72 KLK7 (0.41) ALOX15KLK7POLBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120094958-A1 QUINOLINES AS INHIBITORS OF FARNESYL PYROPHOSPHATE SYNTHASE NOVARTIS AG (CH) 2012-04-19 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-20120094958-A1 QUINOLINES AS INHIBITORS OF FARNESYL PYROPHOSPHATE SYNTHASE FDPS, GGPS1, CTPS1 ALOX15 1414/4885KLK7 4439/4885POLB 769/4885

“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.