SCHEMBL1962450

SCHEMBL1962450

O=C1NCCc2cc(-c3n[nH]cc3Sc3ccc(Cl)cc3)ccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 9/20 0.51
PARP11 Q9NR21 9/20 0.51
F7 P08709 1/20 0.43
PARP1 P09874 1/20 0.43
F3 P13726 1/20 0.43
GSK3B P49841 2/20 0.41
GRM5 P41594 3/20 0.41
MAPKAPK2 P49137 1/20 0.40
TDP2 O95551 1/20 0.38
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
PRF1 P14222 1/20 0.37
JAK2 O60674 1/20 0.36
NTRK1 P04629 1/20 0.36
MET P08581 1/20 0.36
FGFR1 P11362 1/20 0.36
PRKACA P17612 1/20 0.36
KDR P35968 1/20 0.36
MAP2K2 P36507 1/20 0.36
FLT3 P36888 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
SCHEMBL12581560 0.78 PARP10 (0.43) PARP10PARP11F7PARP1F3
SCHEMBL1959448 0.77 FAAH (0.56) PARP10PARP11GRM5MAPKAPK2
SCHEMBL8155836 0.77 PARP10 (0.76) PARP10PARP11F7PARP1F3
SCHEMBL1002421 0.74 PARP10 (0.44) PARP10PARP11F7PARP1F3
SCHEMBL1315035 0.71 PARP10 (0.74) PARP10PARP11F7PARP1F3
SCHEMBL1963038 0.70 PARP10 (0.40) PARP10PARP11F7PARP1F3
SCHEMBL8004597 0.70 PARP10 (0.47) PARP10PARP11PARP1MAPKAPK2
SCHEMBL1961617 0.70 FAAH (0.62) MAOB
SCHEMBL1959437 0.69 NPSR1 (0.43)
SCHEMBL1964004 0.69 MAPK13 (0.43) KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2299824-B1 PYRAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK SHARP & DOHME (US) 2013-06-19 EP disclosed
US-20110144056-A1 PYRAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK SHARP & DOHME CORP. 2011-06-16 US disclosed
US-20110144056-A1 PYRAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK SHARP & DOHME CORP. 2011-06-16 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-20110144056-A1 PYRAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH FAAH, FAAH2, HRH2 PARP10 1994/4885PARP11 1447/4885F7 2419/4885

“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.