SCHEMBL6345284

SCHEMBL6345284

COC(=O)Cc1cc(N)n(-c2ccccn2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.44
HPGD P15428 3/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 2/20 0.42
FLT3 P36888 5/20 0.42
PLK4 O00444 1/20 0.42
ROCK2 O75116 1/20 0.42
RPS6KA5 O75582 1/20 0.42
MAP4K4 O95819 1/20 0.42
INSR P06213 1/20 0.42
ROS1 P08922 1/20 0.42
PIM1 P11309 1/20 0.42
PHKG2 P15735 1/20 0.42
PRKACA P17612 1/20 0.42
RPS6KB1 P23443 1/20 0.42
AKT1 P31749 1/20 0.42
CSNK1D P48730 1/20 0.42
CLK2 P49760 1/20 0.42

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
SCHEMBL17111159 0.82 TSHR (0.49) HPGDRAB9ANPC1TP53MAPT
SCHEMBL4666100 0.78 MAPT (0.47) NPY5RHPGDRAB9ANPC1TP53
SCHEMBL15209906 0.77 SLC9A1 (0.44) MAPTHTTMEN1KMT2A
SCHEMBL27702103 0.74 TLR7 (0.43) NPY5RHPGDRAB9ANPC1TP53
SCHEMBL28442189 0.74 CNR1 (0.51) NPY5RHPGDRAB9ANPC1TP53
SCHEMBL29390571 0.73 SMN1; SMN2 (0.53) RAB9ANPC1ALDH1A1POLBTSHR
SCHEMBL78000 0.73 SMN1; SMN2 (0.53) RAB9ANPC1ALDH1A1POLBTSHR
SCHEMBL14551547 0.73 CPB2 (0.54) HPGDRAB9AALDH1A1GAAPOLB
SCHEMBL4700330 0.72 HPGD (0.60) HPGDRAB9ANPC1TP53MAPT
Hydrochloric Acid SCHEMBL7500894 0.72 SMN1; SMN2 (0.51) RAB9ANPC1ALDH1A1POLBTSHR

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-6949648-B2 Condensed pyrazole derivatives, process for producing the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-09-27 US disclosed
US-20030187014-A1 Condensed pyrazole derivatives, process for producing the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-10-02 US disclosed
EP-1270572-A1 CONDENSED PYRAZOLE DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND USE THEREOF TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-01-02 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-20030187014-A1 Condensed pyrazole derivatives, process for producing the same and use thereof PTGS1, PTGIS, IL5 NPY5R 2224/4885HPGD 19/4885RAB9A 3432/4885

“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.