SCHEMBL5266552

SCHEMBL5266552

COc1ccc(-n2nc(C(=O)O)cc2-c2cnc(C)cn2)nn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
TSHR P16473 1/20 0.43
RPA1 P27694 7/20 0.39
KDM5A P29375 2/20 0.37
KDM4C Q9H3R0 2/20 0.37
KDM5B Q9UGL1 2/20 0.37
NPC1 O15118 1/20 0.35
RECQL P46063 1/20 0.35
RAB9A P51151 1/20 0.35
MDM2 Q00987 2/20 0.35
MCL1 Q07820 2/20 0.35
BCL2 P10415 1/20 0.35
PPP1CA P62136 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALOX5 P09917 1/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MARS1 P56192 1/20 0.33
MEN1 O00255 1/20 0.33

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 0.91 RPA1 (0.40) ALDH1A1TSHRRPA1MDM2MCL1
SCHEMBL5267693 0.90 ALDH1A1 (0.40) ALDH1A1TSHRNPC1RECQLRAB9A
SCHEMBL5265509 0.87 ALDH1A1 (0.41) ALDH1A1TSHRRPA1KDM5AKDM4C
SCHEMBL5528164 0.86 ALDH1A1 (0.39) ALDH1A1TSHRNPC1RECQLRAB9A
SCHEMBL5269545 0.85 ALDH1A1 (0.37) ALDH1A1TSHRRPA1MDM2MCL1
SCHEMBL5268373 0.84 RPA1 (0.45) ALDH1A1TSHRRPA1KDM5AKDM4C
SCHEMBL5269334 0.84 RPA1 (0.46) RPA1MDM2MCL1BCL2PPP1CA
SCHEMBL5266195 0.84 RPA1 (0.39) ALDH1A1TSHRRPA1KDM5AKDM4C
SCHEMBL5266917 0.84 PTGS2 (0.43) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL2911638 0.83 RPA1 (0.42) ALDH1A1TSHRRPA1PPP1CASMN1; SMN2

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 6 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-20070254881-A1 Pyrazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-11-01 US disclosed
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 4178/4885RPA1 1150/4885
US-20070219210-A1 Amidopyrazole Derivative PTGER1, PTGS1, PTGER2 ALDH1A1 171/4885TSHR 3156/4885RPA1 1661/4885

“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.