SCHEMBL5267609

SCHEMBL5267609

COc1ccc(-n2nc(C(=O)O)cc2-c2ccn(C)c2)nn1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RPA1 P27694 9/20 0.45
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
PPP1CA P62136 2/20 0.38
MARS1 P56192 1/20 0.38
BCL2 P10415 2/20 0.38
MDM2 Q00987 2/20 0.38
MCL1 Q07820 2/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL5527496 0.88 MALT1 (0.43) RPA1ALDH1A1
SCHEMBL5267424 0.86 ALDH1A1 (0.44) RPA1ALDH1A1SMN1; SMN2PPP1CABCL2
SCHEMBL5269052 0.85 RPA1 (0.44) RPA1ALDH1A1SMN1; SMN2PPP1CAMARS1
SCHEMBL2919367 0.84 RPA1 (0.62) RPA1ALDH1A1PPP1CAMARS1BCL2
SCHEMBL5268467 0.84 PTGS2 (0.48) SMN1; SMN2MAPTHTTMEN1KMT2A
SCHEMBL5266025 0.83 RPA1 (0.44) RPA1ALDH1A1SMN1; SMN2PPP1CAMARS1
SCHEMBL5267517 0.83 RPA1 (0.46) RPA1ALDH1A1SMN1; SMN2PPP1CAMARS1
SCHEMBL5267784 0.82 RPA1 (0.51) RPA1SMN1; SMN2PPP1CAMARS1BCL2
SCHEMBL5269116 0.81 ALOX5 (0.36) SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL14529433 0.81 ALOX5 (0.32) ALDH1A1MAPT

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 8 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
US-20070219210-A1 Amidopyrazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-09-20 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 111/4885SMN1; SMN2 3490/4885
US-20070219210-A1 Amidopyrazole Derivative PTGER1, PTGS1, PTGER2 RPA1 1661/4885ALDH1A1 171/4885SMN1; SMN2 4048/4885

“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.