SCHEMBL5269263

SCHEMBL5269263

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

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RPA1 P27694 9/20 0.40
ALDH1A1 P00352 3/20 0.40
TSHR P16473 1/20 0.40
MDM2 Q00987 2/20 0.36
MCL1 Q07820 2/20 0.36
BCL2 P10415 1/20 0.36
SIRT6 Q8N6T7 1/20 0.36
OXTR P30559 1/20 0.35
AVPR1A P37288 1/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MARS1 P56192 1/20 0.34
NNMT P40261 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PPP1CA P62136 1/20 0.34

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
SCHEMBL5269545 0.93 ALDH1A1 (0.37) RPA1ALDH1A1TSHRMDM2MCL1
SCHEMBL5266552 0.91 ALDH1A1 (0.43) RPA1ALDH1A1TSHRMDM2MCL1
SCHEMBL5266195 0.86 RPA1 (0.39) RPA1ALDH1A1TSHRMDM2MCL1
SCHEMBL5265509 0.86 ALDH1A1 (0.41) RPA1ALDH1A1TSHRMDM2MCL1
SCHEMBL2911638 0.85 RPA1 (0.42) RPA1ALDH1A1TSHRL3MBTL1MARS1
SCHEMBL5524998 0.84 NPC1 (0.41) RPA1ALDH1A1TSHRMDM2MCL1
SCHEMBL5271831 0.84 RPA1 (0.43) RPA1ALDH1A1TSHRMDM2MCL1
SCHEMBL5516492 0.83 ALDH1A1 (0.41) RPA1ALDH1A1TSHRMDM2MCL1
SCHEMBL2914146 0.83 RPA1 (0.45) RPA1ALDH1A1TSHRMDM2MCL1
SCHEMBL5270809 0.82 GSK3B (0.35) RPA1ALDH1A1TSHRMDM2MCL1

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 RPA1 1150/4885ALDH1A1 111/4885TSHR 4178/4885
US-20070219210-A1 Amidopyrazole Derivative PTGER1, PTGS1, PTGER2 RPA1 1661/4885ALDH1A1 171/4885TSHR 3156/4885

“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.