SCHEMBL5267459

SCHEMBL5267459

COc1ccc(-n2nc(C(=O)N3CCC(C)CC3)cc2-c2ccccn2)nn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
HPGD P15428 3/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
SCD5 Q86SK9 3/20 0.40
HSD11B1 P28845 1/20 0.40
ACHE P22303 1/20 0.40
MGLL Q99685 4/20 0.39
ABL1 P00519 1/20 0.39
BCR P11274 1/20 0.39
CFTR P13569 1/20 0.38
NTRK1 P04629 2/20 0.38
HSD17B10 Q99714 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
TP53 P04637 1/20 0.38
NFKB1 P19838 1/20 0.38

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
SCHEMBL2919146 0.93 SCD5 (0.40) ALDH1A1HPGDKDM4ESCD5MGLL
SCHEMBL2915571 0.92 NTRK1 (0.44) ALDH1A1HPGDSCD5MGLLABL1
SCHEMBL2915785 0.91 ADORA2A (0.42) ALDH1A1HPGDSCD5MGLLABL1
SCHEMBL2918205 0.90 CYP2C9 (0.41) ALDH1A1HPGDSCD5MGLLABL1
SCHEMBL2918724 0.89 CFTR (0.48) ALDH1A1KDM4ELMNAMGLLABL1
SCHEMBL2919454 0.89 MGLL (0.46) ALDH1A1HPGDKDM4EMGLLABL1
SCHEMBL2921476 0.89 CFTR (0.45) ALDH1A1MGLLABL1BCRCFTR
SCHEMBL14529496 0.89 ALDH1A1 (0.45) ALDH1A1HPGDKDM4ELMNAHTT
SCHEMBL2919430 0.88 MGLL (0.46) ALDH1A1HPGDKDM4ELMNAHTT
Hydrochloric Acid SCHEMBL4247447 0.88 MGLL (0.46) ALDH1A1HPGDKDM4EMGLLABL1

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-20070254881-A1 Pyrazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-11-01 US disclosed
US-20070254881-A1 Pyrazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-11-01 US disclosed
US-20070254881-A1 Pyrazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-11-01 US disclosed
EP-1785418-A1 PYRAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-05-16 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-20070254881-A1 Pyrazole Derivative PTGER1, PTGS1, PTGER2 ALDH1A1 111/4885HPGD 39/4885KDM4E 3557/4885

“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.