SCHEMBL4923110

SCHEMBL4923110

O=C(O)c1cc(-c2ccc(OCc3ccccc3)cn2)n(-c2cccnc2)n1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 6/20 0.62
MCL1 Q07820 5/20 0.52
BCL2 P10415 4/20 0.52
P4HTM Q9NXG6 1/20 0.51
MARS1 P56192 1/20 0.47
RPA1 P27694 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 1/20 0.45
POLB P06746 1/20 0.45
CYP4F2 P78329 5/20 0.43
CYP4A11 Q02928 5/20 0.43
RAB9A P51151 1/20 0.43
MMP2 P08253 1/20 0.42
MMP13 P45452 1/20 0.42

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
SCHEMBL5979572 0.92 MDM2 (0.73) MDM2MCL1BCL2P4HTMRPA1
SCHEMBL4933566 0.89 KMT2A (0.52) MDM2MCL1BCL2MEN1KMT2A
SCHEMBL5518559 0.87 MDM2 (0.48) MDM2MCL1BCL2P4HTMMARS1
SCHEMBL5524318 0.87 MDM2 (0.59) MDM2MCL1BCL2P4HTMRPA1
SCHEMBL14416517 0.86 MARS1 (0.47) MDM2MCL1BCL2MARS1RPA1
SCHEMBL4923151 0.84 MDM2 (0.45) MDM2MCL1BCL2MEN1KMT2A
SCHEMBL27668657 0.84 MDM2 (0.56) MDM2MCL1BCL2P4HTMMARS1
SCHEMBL5269383 0.83 MDM2 (0.57) MDM2MCL1BCL2P4HTMMARS1
SCHEMBL4927577 0.83 MARS1 (0.53) MDM2MCL1BCL2MARS1RPA1
SCHEMBL5163560 0.81 MARS1 (0.46) MDM2MCL1BCL2MARS1RPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080064682-A1 Pyrazole Derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-03-13 US disclosed
US-20080064682-A1 Pyrazole Derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-03-13 US disclosed
US-20080064682-A1 Pyrazole Derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-03-13 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
CN-1980912-A Pyrazole derivatives DAIICHI SEIYAKU CO (JP) 2007-06-13 CN disclosed
EP-1762568-A1 PYRAZOLE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-14 EP disclosed
EP-1762568-A1 PYRAZOLE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-14 EP disclosed
CN-1902191-A Amidopyrazole derivative DAIICHI SEIYAKU CO (JP) 2007-01-24 CN 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-20080064682-A1 Pyrazole Derivatives NAT1, AR, CBR3 MDM2 1935/4885MCL1 1246/4885BCL2 2316/4885
US-20070219210-A1 Amidopyrazole Derivative PTGER1, PTGS1, PTGER2 MDM2 4288/4885MCL1 1451/4885BCL2 3148/4885

“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.