SCHEMBL6345998

SCHEMBL6345998

Cc1nn(-c2ccccn2)c2nc3ccccc3c(C)c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.47
KDM4E B2RXH2 8/20 0.47
HPGD P15428 7/20 0.47
MAPT P10636 5/20 0.47
GAA P10253 2/20 0.47
HTT P42858 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HSD17B10 Q99714 4/20 0.44
TSHR P16473 2/20 0.43
USP2 O75604 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.41
SPR P35270 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
RAB9A P51151 2/20 0.39
POLB P06746 1/20 0.39
ALOX15 P16050 1/20 0.39
CCNA2 P20248 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
SCHEMBL6343966 0.87 MAPT (0.49) ALDH1A1KDM4EHPGDMAPTGAA
SCHEMBL6343061 0.87 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDMAPTGAA
SCHEMBL6351846 0.86 ALDH1A1 (0.52) ALDH1A1KDM4EHPGDMAPTGAA
SCHEMBL6351683 0.86 ALDH1A1 (0.50) ALDH1A1KDM4EHPGDMAPTGAA
Hydrochloric Acid SCHEMBL6343062 0.86 MAPT (0.48) ALDH1A1KDM4EHPGDMAPTGAA
SCHEMBL6344844 0.85 ALDH1A1 (0.44) ALDH1A1KDM4EHPGDMAPTGAA
SCHEMBL6346118 0.85 ALDH1A1 (0.44) ALDH1A1KDM4EHPGDMAPTGAA
SCHEMBL6351277 0.84 ALDH1A1 (0.49) ALDH1A1KDM4EHPGDMAPTGAA
Hydrochloric Acid SCHEMBL6342678 0.84 ALDH1A1 (0.44) ALDH1A1KDM4EHPGDMAPTGAA
SCHEMBL6342918 0.84 KDM4E (0.44) ALDH1A1KDM4EHPGDMAPTGAA

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 ALDH1A1 1061/4885KDM4E 1741/4885HPGD 19/4885

“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.