SCHEMBL4932119

SCHEMBL4932119

Cc1cnc(-c2cc(C(=O)O)nn2-c2cccnc2)cn1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MARS1 P56192 2/20 0.53
RPA1 P27694 3/20 0.47
MDM2 Q00987 4/20 0.43
MCL1 Q07820 3/20 0.43
BCL2 P10415 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
PPP1CA P62136 3/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 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
SCHEMBL27668835 0.89 MARS1 (0.55) MARS1RPA1MDM2MCL1BCL2
SCHEMBL5268213 0.88 SMN1; SMN2 (0.46) RPA1MDM2MCL1BCL2L3MBTL1
SCHEMBL4932097 0.86 MARS1 (0.53) MARS1RPA1MDM2MCL1BCL2
SCHEMBL4923347 0.86 MARS1 (0.53) MARS1RPA1MDM2MCL1BCL2
SCHEMBL27668622 0.86 MARS1 (0.53) MARS1RPA1MDM2MCL1BCL2
SCHEMBL4932148 0.86 KMT2A (0.54) MEN1KMT2AALDH1A1
SCHEMBL5528493 0.85 CNR1 (0.52) MARS1MEN1KMT2ACNR1CNR2
SCHEMBL5521076 0.85 MARS1 (0.53) MARS1RPA1MDM2MCL1BCL2
SCHEMBL4931469 0.84 MARS1 (0.53) MARS1RPA1MDM2MCL1BCL2
SCHEMBL4927577 0.82 MARS1 (0.53) MARS1RPA1MDM2MCL1BCL2

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
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
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 MARS1 760/4885RPA1 1135/4885MDM2 1935/4885
US-20070219210-A1 Amidopyrazole Derivative PTGER1, PTGS1, PTGER2 MARS1 2982/4885RPA1 1661/4885MDM2 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.