SCHEMBL6345793

SCHEMBL6345793

Cc1cccc2nc3c(c(C)nn3-c3ccccn3)c(N)c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
ALDH1A1 P00352 8/20 0.42
KDM4E B2RXH2 7/20 0.42
HPGD P15428 6/20 0.42
HTT P42858 2/20 0.42
GAA P10253 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TSHR P16473 2/20 0.41
USP2 O75604 1/20 0.41
HSD17B10 Q99714 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
ACHE P22303 4/20 0.39
BCHE P06276 3/20 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
SCHEMBL6343135 0.85 ALDH1A1 (0.42) MAPTALDH1A1KDM4EHPGDHTT
SCHEMBL6343966 0.85 MAPT (0.49) MAPTALDH1A1KDM4EHPGDHTT
SCHEMBL6342700 0.84 ACHE (0.39) ALDH1A1KDM4EHPGDNPSR1MEN1
Hydrochloric Acid SCHEMBL6343062 0.84 MAPT (0.48) MAPTALDH1A1KDM4EHPGDHTT
SCHEMBL6342088 0.82 MAPT (0.43) MAPTALDH1A1KDM4EHPGDHTT
Hydrochloric Acid SCHEMBL6342690 0.81 MAPT (0.43) MAPTALDH1A1KDM4EHPGDHTT
Hydrochloric Acid SCHEMBL6344856 0.79 ALDH1A1 (0.45) MAPTALDH1A1KDM4EHPGDHTT
SCHEMBL6343825 0.78 PIK3CD (0.48) MAPTALDH1A1KDM4EHPGDHTT
SCHEMBL6345998 0.77 ALDH1A1 (0.47) MAPTALDH1A1KDM4EHPGDHTT
SCHEMBL6339934 0.77 ALDH1A1 (0.57) MAPTALDH1A1KDM4EHPGDHTT

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 MAPT 3408/4885ALDH1A1 1061/4885KDM4E 1741/4885

“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.