SCHEMBL5521136

SCHEMBL5521136

COc1ccc(-n2nc(C(=O)NC3CCCC3)cc2-c2ccccn2)nn1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.46
FAAH O00519 3/20 0.45
PTGS1 P23219 1/20 0.42
EPHX2 P34913 1/20 0.42
PTGS2 P35354 1/20 0.42
NTRK1 P04629 5/20 0.42
KDM4E B2RXH2 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HTT P42858 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
ITGA5 P08648 1/20 0.41
GRM5 P41594 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
POLB P06746 1/20 0.41
CNR2 P34972 1/20 0.40
MGLL Q99685 1/20 0.40

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
SCHEMBL5529088 0.88 CFTR (0.43) CFTRFAAHPTGS1EPHX2PTGS2
SCHEMBL5530110 0.84 FAAH (0.47) CFTRFAAHPTGS1EPHX2PTGS2
SCHEMBL2914740 0.83 GRM5 (0.40) KDM4EALDH1A1LMNAGRM5
SCHEMBL5532056 0.83 CNR1 (0.42) NTRK1ALDH1A1CNR2
SCHEMBL2914146 0.82 RPA1 (0.45) HTTALDH1A1
SCHEMBL13855348 0.82 ALDH1A1 (0.39) KDM4EALDH1A1LMNAGRM5
SCHEMBL5520952 0.81 NTRK1 (0.42) NTRK1CNR2
SCHEMBL5269498 0.81 HCRTR2 (0.37) CFTRSMN1; SMN2HTTALDH1A1NPC1
SCHEMBL2915785 0.81 ADORA2A (0.42) CFTRSMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL14362985 0.81 NTRK1 (0.42) NTRK1SMN1; SMN2ALDH1A1

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 4 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
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 CFTR 4519/4885FAAH 63/4885PTGS1 2/4885

“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.