SCHEMBL5269545

SCHEMBL5269545

COC(=O)c1cc(-c2cnc(C(=O)O)cn2)n(-c2ccc(OC)nn2)n1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
TSHR P16473 1/20 0.37
KDM4E B2RXH2 4/20 0.37
MAPK1 P28482 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
RPA1 P27694 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.33
PTGS2 P35354 1/20 0.33
SIRT6 Q8N6T7 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GAA P10253 1/20 0.33
BCL2 P10415 1/20 0.32
MDM2 Q00987 1/20 0.32
MCL1 Q07820 1/20 0.32
ALOX5 P09917 1/20 0.32

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
SCHEMBL5269263 0.93 RPA1 (0.40) ALDH1A1TSHRKDM4EL3MBTL1RPA1
SCHEMBL5267693 0.88 ALDH1A1 (0.40) ALDH1A1TSHRKDM4EMAPK1SMN1; SMN2
SCHEMBL5266512 0.85 KDM4E (0.42) ALDH1A1TSHRKDM4EMAPK1L3MBTL1
SCHEMBL5266552 0.85 ALDH1A1 (0.43) ALDH1A1TSHRKDM4EL3MBTL1RPA1
SCHEMBL5522493 0.82 KDM4C (0.51) ALDH1A1TSHRKDM4E
SCHEMBL5268935 0.81 EGLN2 (0.39) ALDH1A1TSHRKDM4EL3MBTL1RPA1
SCHEMBL5266650 0.81 GSK3B (0.35) ALDH1A1TSHRBCL2ALOX5
SCHEMBL5522342 0.81 JMJD6 (0.39) ALDH1A1TSHRKDM4ESMN1; SMN2PTGS2
SCHEMBL5266195 0.81 RPA1 (0.39) ALDH1A1TSHRKDM4EL3MBTL1RPA1
SCHEMBL5265509 0.81 ALDH1A1 (0.41) ALDH1A1TSHRRPA1SMN1; SMN2BCL2

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-20070219210-A1 Amidopyrazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-09-20 US disclosed
EP-1785418-A1 PYRAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-05-16 EP disclosed
EP-1698626-A1 AMIDOPYRAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-09-06 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 (2 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 111/4885TSHR 4178/4885KDM4E 3557/4885
US-20070219210-A1 Amidopyrazole Derivative PTGER1, PTGS1, PTGER2 ALDH1A1 171/4885TSHR 3156/4885KDM4E 2495/4885

“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.