SCHEMBL6345178

SCHEMBL6345178

Cc1nn(-c2ccccn2)c2[nH]c3cc(C(=O)O)ccc3c(=O)c12

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.45
PARP1 P09874 1/20 0.41
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
FFAR4 Q5NUL3 5/20 0.41
SPR P35270 2/20 0.40
IMPDH2 P12268 1/20 0.40
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL6353735 0.92 SPR (0.42) DYRK1AKDM4EALDH1A1HPGDFFAR4
SCHEMBL6340214 0.89 DYRK1A (0.47) DYRK1APARP1KDM4EALDH1A1HPGD
SCHEMBL6344842 0.85 SPR (0.43) SPR
SCHEMBL6342655 0.84 SPR (0.43) PARP1KDM4EALDH1A1HPGDSPR
SCHEMBL6344363 0.84 MAPT (0.43) DYRK1AKDM4EALDH1A1HPGDFFAR4
SCHEMBL6339985 0.84 L3MBTL1 (0.43) ALDH1A1HPGDMAPT
SCHEMBL6343219 0.82 L3MBTL1 (0.40) KDM4EALDH1A1HPGDFFAR4SPR
SCHEMBL6350724 0.81 KDM4E (0.44) DYRK1AKDM4EALDH1A1HPGDSPR
SCHEMBL6342685 0.81 L3MBTL1 (0.41) KDM4EALDH1A1HPGDFFAR4SPR
SCHEMBL6353321 0.81 PTGS2 (0.48) PARP1KDM4EMAPTNPSR1

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 DYRK1A 4242/4885PARP1 3752/4885KDM4E 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.