SCHEMBL5524868

SCHEMBL5524868

COc1ccc(-n2nc(C(=O)NC(C)(C)C)cc2-c2cnccn2)nn1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CNR1 P21554 7/20 0.35
CNR2 P34972 6/20 0.35
KLK3 P07288 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
HPGDS O60760 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
RAB9A P51151 1/20 0.32
DHODH Q02127 1/20 0.32
EPHX2 P34913 1/20 0.32
MAPT P10636 2/20 0.32
GAA P10253 1/20 0.32
KDM4E B2RXH2 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL5527821 0.89 RAB9A (0.36) MEN1KMT2ACNR1CNR2KLK3
SCHEMBL5532056 0.87 CNR1 (0.42) CNR1CNR2ALDH1A1TSHRL3MBTL1
SCHEMBL5525851 0.87 ALOX5 (0.37) CNR1CNR2ALDH1A1TSHRRAB9A
SCHEMBL5526491 0.86 CNR1 (0.39) MEN1KMT2ACNR1CNR2KLK3
SCHEMBL5266195 0.86 RPA1 (0.39) KLK3ALDH1A1TSHRGAAKDM4E
SCHEMBL5528505 0.84 JMJD6 (0.35) CNR1CNR2KDM4E
SCHEMBL5529088 0.83 CFTR (0.43) CNR1CNR2HPGDSALDH1A1RAB9A
SCHEMBL5529669 0.78 CNR1 (0.50) MEN1KMT2ACNR1CNR2DHODH
SCHEMBL5523202 0.78 CNR1 (0.56) CNR1CNR2
SCHEMBL5529835 0.77 CNR1 (0.46) CNR1CNR2

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
US-20070219210-A1 Amidopyrazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-09-20 US disclosed
US-20070219210-A1 Amidopyrazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-09-20 US disclosed
EP-1698626-A1 AMIDOPYRAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-09-06 EP 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-20070219210-A1 Amidopyrazole Derivative PTGER1, PTGS1, PTGER2 MEN1 2899/4885KMT2A 2339/4885CNR1 76/4885

“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.