SCHEMBL5267784

SCHEMBL5267784

COc1ccc(-n2nc(C(=O)O)cc2-c2ccn(C)c2)cn1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RPA1 P27694 9/20 0.51
SMN1; SMN2 Q16637 2/20 0.44
MDM2 Q00987 5/20 0.43
MCL1 Q07820 5/20 0.43
BCL2 P10415 4/20 0.43
PPP1CA P62136 1/20 0.43
MARS1 P56192 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ATM Q13315 1/20 0.41

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
SCHEMBL5524884 0.89 MALT1 (0.49) RPA1MDM2MCL1BCL2MARS1
SCHEMBL5267834 0.87 CA9 (0.47) KMT2A
SCHEMBL5267435 0.86 RPA1 (0.46) RPA1SMN1; SMN2MDM2MCL1BCL2
SCHEMBL5273268 0.85 SMN1; SMN2 (0.48) RPA1SMN1; SMN2MDM2MCL1BCL2
SCHEMBL2910437 0.85 RPA1 (0.70) RPA1SMN1; SMN2MDM2MCL1BCL2
SCHEMBL5267395 0.85 RPA1 (0.51) RPA1SMN1; SMN2MDM2MCL1BCL2
SCHEMBL5269492 0.84 MEN1 (0.53) SMN1; SMN2MEN1KMT2A
SCHEMBL5265892 0.83 RPA1 (0.52) RPA1SMN1; SMN2MDM2MCL1BCL2
SCHEMBL5268814 0.83 RPA1 (0.48) RPA1SMN1; SMN2MDM2MCL1BCL2
SCHEMBL2919001 0.83 SMN1; SMN2 (0.63) RPA1SMN1; SMN2MDM2MCL1BCL2

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 1150/4885SMN1; SMN2 3490/4885MDM2 3569/4885
US-20070219210-A1 Amidopyrazole Derivative PTGER1, PTGS1, PTGER2 RPA1 1661/4885SMN1; SMN2 4048/4885MDM2 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.