SCHEMBL2305237

SCHEMBL2305237

N#Cc1ccc(C(=O)C(C#N)C2CC(F)(F)C2)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.47
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
SLC6A3 Q01959 1/20 0.39
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CTSC P53634 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
TRPA1 O75762 3/20 0.37
ALDH1A1 P00352 1/20 0.37
MLYCD O95822 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
PARP15 Q460N3 1/20 0.35
PARP10 Q53GL7 1/20 0.35
PARP2 Q9UGN5 1/20 0.35

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
SCHEMBL3101199 0.83 GSK3B (0.54) GSK3BCA1CA2SLC6A3NPC1
SCHEMBL20075532 0.71 LMNA (0.46) CA1CA2SLC6A3SMN1; SMN2CTSC
SCHEMBL2304365 0.70 GSK3B (0.61) GSK3BCA1CA2SLC6A3GAA
SCHEMBL1226232 0.69 GSK3B (0.66) GSK3BCA1CA2SLC6A3GAA
SCHEMBL30737582 0.68 RAPGEF3 (0.41) CA1CA2NPC1ALDH1A1MEN1
SCHEMBL16234822 0.68 GSK3B (0.54) GSK3BCA1CA2SLC6A3NPC1
SCHEMBL10275413 0.66 GSK3B (0.61) GSK3BCA1CA2SLC6A3GAA
SCHEMBL1436175 0.66 GSK3B (0.72) GSK3BCA1CA2SLC6A3GAA
SCHEMBL9559757 0.66 GSK3B (0.61) GSK3BCA1CA2SLC6A3GAA
SCHEMBL24843245 0.66 HSD11B1 (0.43) SLC6A3CTSC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120316150-A1 AMIDE COMPOUNDS USEFUL IN THERAPY PFIZER INC. 2012-12-13 US disclosed
US-20120316150-A1 AMIDE COMPOUNDS USEFUL IN THERAPY PFIZER INC. 2012-12-13 US disclosed
US-20120316150-A1 AMIDE COMPOUNDS USEFUL IN THERAPY PFIZER INC. 2012-12-13 US disclosed
US-8232269-B2 Amide compounds useful in therapy PFIZER INC. (US) 2012-07-31 US disclosed
US-8232269-B2 Amide compounds useful in therapy PFIZER INC. (US) 2012-07-31 US disclosed
US-8232269-B2 Amide compounds useful in therapy PFIZER INC. (US) 2012-07-31 US disclosed
EP-2350017-A1 AMIDE COMPOUNDS USEFUL IN THERAPY Pfizer Limited (GB) 2011-08-03 EP disclosed
US-20100249091-A1 Amide Compounds Useful in Therapy GIBSON KARL RICHARD 2010-09-30 US disclosed
US-20100249091-A1 Amide Compounds Useful in Therapy GIBSON KARL RICHARD 2010-09-30 US disclosed
US-20100249091-A1 Amide Compounds Useful in Therapy GIBSON KARL RICHARD 2010-09-30 US disclosed
WO-2010032200-A1 AMIDE COMPOUNDS USEFUL IN THERAPY PFIZER LIMITED (GB) 2010-03-25 WO disclosed
WO-2010032200-A1 AMIDE COMPOUNDS USEFUL IN THERAPY PFIZER LIMITED (GB) 2010-03-25 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 (2 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-20100249091-A1 Amide Compounds Useful in Therapy PTGER3, PTGER1, PTGER2 GSK3B 4342/4885CA1 1452/4885CA2 845/4885
US-20120316150-A1 AMIDE COMPOUNDS USEFUL IN THERAPY GNRHR, RXFP1, ARG1 GSK3B 4275/4885CA1 579/4885CA2 726/4885

“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.