SCHEMBL2917262

SCHEMBL2917262

COc1ccc(-n2nc(C(=O)O)cc2-c2cccn2C)cn1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RPA1 P27694 7/20 0.49
MDM2 Q00987 6/20 0.42
MCL1 Q07820 5/20 0.42
BCL2 P10415 4/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
MARS1 P56192 1/20 0.39
PPP1CA P62136 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL2919548 0.86 CA9 (0.46) MEN1KMT2A
SCHEMBL5530168 0.86 CNR1 (0.38) RPA1
SCHEMBL2911840 0.85 MGLL (0.48) MEN1KMT2A
SCHEMBL5268814 0.84 RPA1 (0.48) RPA1MDM2MCL1BCL2MEN1
SCHEMBL2910437 0.84 RPA1 (0.70) RPA1MDM2MCL1BCL2MEN1
SCHEMBL5267784 0.81 RPA1 (0.51) RPA1MDM2MCL1BCL2MEN1
SCHEMBL2912492 0.81 KMT2A (0.54) RPA1MDM2MCL1BCL2MEN1
SCHEMBL5265892 0.80 RPA1 (0.52) RPA1MDM2MCL1BCL2MEN1
SCHEMBL5267435 0.80 RPA1 (0.46) RPA1MDM2MCL1BCL2MEN1
SCHEMBL2909802 0.80 RPA1 (0.49) RPA1MDM2MCL1BCL2MEN1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1591443-B1 PYRAZOLE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2010-08-25 EP disclosed
US-7622471-B2 Pyrazole derivatives having a pyridazine and pyridine functionality DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-11-24 US disclosed
US-7622471-B2 Pyrazole derivatives having a pyridazine and pyridine functionality DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-11-24 US disclosed
US-7622471-B2 Pyrazole derivatives having a pyridazine and pyridine functionality DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-11-24 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-1698626-A1 AMIDOPYRAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-09-06 EP disclosed
US-20060128685-A1 Pyrazole derivative DAIICHI PHARMACEUTICAL CO., LTD., (JP) 2006-06-15 US disclosed
EP-1591443-A1 PYRAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-11-02 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-20060128685-A1 Pyrazole derivative PTGS1, PTGS2, PTGER1 RPA1 4200/4885MDM2 2821/4885MCL1 2587/4885
US-20070219210-A1 Amidopyrazole Derivative PTGER1, PTGS1, PTGER2 RPA1 1661/4885MDM2 4288/4885MCL1 1451/4885

“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.