SCHEMBL1217864

SCHEMBL1217864

CC(C)[C@H](NC(=O)c1nn(Cc2ccccn2)c2ncccc12)C(N)=O

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 10/20 0.55
CNR2 P34972 6/20 0.55
ALDH1A1 P00352 4/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
MAPK1 P28482 2/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.40
NR3C1 P04150 1/20 0.40
LMNA P02545 1/20 0.40
HTR3A P46098 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL1217878 0.93 CNR1 (0.47) CNR1CNR2ALDH1A1MEN1KMT2A
SCHEMBL12884884 0.89 CNR1 (0.69) CNR1CNR2ALDH1A1MEN1KMT2A
SCHEMBL1218262 0.89 CNR1 (0.63) CNR1CNR2ALDH1A1MEN1KMT2A
SCHEMBL1218567 0.87 CNR1 (0.56) CNR1CNR2ALDH1A1MEN1KMT2A
SCHEMBL1218526 0.86 CNR2 (0.46) CNR1CNR2ALDH1A1MEN1KMT2A
SCHEMBL1217140 0.85 CNR1 (0.57) CNR1CNR2HTR3A
SCHEMBL1213494 0.82 MAPK8 (0.43) CNR1CNR2ALDH1A1MEN1KMT2A
SCHEMBL13690899 0.82 CNR1 (0.62) CNR1CNR2HTR3A
SCHEMBL1218512 0.82 CNR1 (0.55) CNR1CNR2ALDH1A1MEN1KMT2A
SCHEMBL13689146 0.80 CNR1 (0.52) CNR1CNR2ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110028447-A1 INDAZOLE DERIVATIVES PFIZER INC. 2011-02-03 US claimed
US-20110028447-A1 INDAZOLE DERIVATIVES PFIZER INC. 2011-02-03 US disclosed
US-20110028447-A1 INDAZOLE DERIVATIVES PFIZER INC. 2011-02-03 US disclosed
US-20110028447-A1 INDAZOLE DERIVATIVES PFIZER INC. 2011-02-03 US disclosed
EP-2265335-A1 INDAZOLE DERIVATIVES Pfizer Inc. (US) 2010-12-29 EP disclosed
WO-2009106982-A1 INDAZOLE DERIVATIVES PFIZER INC. (US) 2009-09-03 WO disclosed
WO-2009106982-A1 INDAZOLE DERIVATIVES PFIZER INC. (US) 2009-09-03 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 (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-20110028447-A1 INDAZOLE DERIVATIVES CNR1, CNR2, GPR119 CNR1 1/4885CNR2 2/4885ALDH1A1 1172/4885

“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.