SCHEMBL5267572

SCHEMBL5267572

COc1ccc(-c2cc(C(=O)O)nn2-c2ccc(C)nc2)nc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RPA1 P27694 7/20 0.55
MARS1 P56192 1/20 0.46
MDM2 Q00987 8/20 0.44
MCL1 Q07820 7/20 0.44
BCL2 P10415 6/20 0.44
SMN1; SMN2 Q16637 2/20 0.41
PPP1CA P62136 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NTRK1 P04629 1/20 0.40

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
SCHEMBL5271409 0.87 TP53 (0.48) RPA1ALDH1A1GAA
SCHEMBL5267172 0.86 PPP1CA (0.50) RPA1MDM2MCL1BCL2SMN1; SMN2
SCHEMBL5524318 0.86 MDM2 (0.59) RPA1MDM2MCL1BCL2
SCHEMBL5527873 0.86 CNR1 (0.44) RPA1MARS1SMN1; SMN2KDM4EALDH1A1
SCHEMBL27668640 0.86 RPA1 (0.42) RPA1MARS1MDM2MCL1BCL2
SCHEMBL27648473 0.85 RPA1 (0.46) RPA1MDM2MCL1BCL2SMN1; SMN2
SCHEMBL5268213 0.83 SMN1; SMN2 (0.46) RPA1MDM2MCL1BCL2SMN1; SMN2
SCHEMBL5270171 0.83 PTGS2 (0.55) SMN1; SMN2
SCHEMBL5267891 0.82 RPA1 (0.50) RPA1MDM2MCL1BCL2SMN1; SMN2
SCHEMBL5272729 0.82 MGLL (0.47)

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 9 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-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 1150/4885MARS1 2234/4885MDM2 3569/4885
US-20070219210-A1 Amidopyrazole Derivative PTGER1, PTGS1, PTGER2 RPA1 1661/4885MARS1 2982/4885MDM2 4288/4885

“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.