SCHEMBL2912938

SCHEMBL2912938

COc1ccc(-n2nc(C(=O)O)cc2-c2ccc(N(C)C)cc2)nn1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RPA1 P27694 11/20 0.48
KDM5A P29375 1/20 0.44
KDM4C Q9H3R0 1/20 0.44
KDM5B Q9UGL1 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 1/20 0.43
BCL2 P10415 2/20 0.42
MDM2 Q00987 2/20 0.42
MCL1 Q07820 2/20 0.42
MARS1 P56192 2/20 0.42
PPP1CA P62136 1/20 0.42
L3MBTL1 Q9Y468 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
SCHEMBL2919367 0.87 RPA1 (0.62) RPA1ALDH1A1BCL2MDM2MCL1
SCHEMBL5525656 0.85 MALT1 (0.39) RPA1KDM5AKDM4CKDM5B
SCHEMBL2910876 0.85 RPA1 (0.50) RPA1KDM5AKDM4CKDM5BSMN1; SMN2
SCHEMBL2921268 0.84 MGLL (0.51) SMN1; SMN2ALDH1A1
SCHEMBL5524665 0.82 RPA1 (0.54) RPA1SMN1; SMN2BCL2MDM2MCL1
SCHEMBL5268373 0.81 RPA1 (0.45) RPA1KDM5AKDM4CKDM5BSMN1; SMN2
SCHEMBL5267517 0.81 RPA1 (0.46) RPA1SMN1; SMN2ALDH1A1BCL2MDM2
SCHEMBL5267609 0.80 RPA1 (0.45) RPA1SMN1; SMN2ALDH1A1BCL2MDM2
SCHEMBL5266025 0.79 RPA1 (0.44) RPA1SMN1; SMN2ALDH1A1BCL2MDM2
SCHEMBL2910701 0.78 SMN1; SMN2 (0.47) RPA1KDM5AKDM4CKDM5BSMN1; SMN2

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 4200/4885KDM5A 3109/4885KDM4C 4487/4885
US-20070219210-A1 Amidopyrazole Derivative PTGER1, PTGS1, PTGER2 RPA1 1661/4885KDM5A 1830/4885KDM4C 3195/4885

“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.