SCHEMBL2915972

SCHEMBL2915972

COc1ccc(-n2nc(C(=O)O)cc2-c2ccc(C(F)(F)F)cc2)cn1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RPA1 P27694 6/20 0.53
MARS1 P56192 2/20 0.52
DYRK3 O43781 1/20 0.50
CCNA2 P20248 1/20 0.50
CDK2 P24941 1/20 0.50
DYRK1A Q13627 1/20 0.50
DYRK2 Q92630 1/20 0.50
DYRK1B Q9Y463 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
CHRNA7 P36544 1/20 0.48
MDM2 Q00987 5/20 0.47
MCL1 Q07820 5/20 0.47
BCL2 P10415 4/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
PPP1CA P62136 1/20 0.47
ATM Q13315 1/20 0.47
CYP2C9 P11712 1/20 0.46

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
SCHEMBL2916975 0.88 KMT2A (0.62) RPA1MARS1SMN1; SMN2MDM2MCL1
SCHEMBL2916210 0.87 CHRNA7 (0.52) DYRK3CCNA2CDK2DYRK1ADYRK2
SCHEMBL2919001 0.87 SMN1; SMN2 (0.63) RPA1MARS1SMN1; SMN2MDM2MCL1
SCHEMBL2911521 0.87 RPA1 (0.70) RPA1MARS1SMN1; SMN2MDM2MCL1
SCHEMBL2910437 0.87 RPA1 (0.70) RPA1SMN1; SMN2MDM2MCL1BCL2
SCHEMBL2920600 0.86 RPA1 (0.69) RPA1MARS1SMN1; SMN2MEN1KMT2A
SCHEMBL2910679 0.85 MGLL (0.53) DYRK3CCNA2CDK2DYRK1ADYRK2
SCHEMBL5269886 0.84 RPA1 (0.54) RPA1MARS1SMN1; SMN2MDM2MCL1
SCHEMBL5524665 0.84 RPA1 (0.54) RPA1MARS1SMN1; SMN2MDM2MCL1
SCHEMBL2916511 0.84 RPA1 (0.54) RPA1MARS1SMN1; SMN2MDM2MCL1

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 6 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-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 (1 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 4200/4885MARS1 3187/4885DYRK3 3070/4885

“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.