SCHEMBL2919170

SCHEMBL2919170

CCOC(=O)c1cc(-c2ccccc2)n(-c2ccc(OC)cn2)n1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 2/20 0.55
TP53 P04637 1/20 0.55
RPA1 P27694 1/20 0.53
POLB P06746 1/20 0.53
FAAH O00519 4/20 0.50
BCL2 P10415 2/20 0.50
MDM2 Q00987 2/20 0.50
MCL1 Q07820 2/20 0.50
KMT2A Q03164 3/20 0.48
MAPT P10636 3/20 0.48
TDP1 Q9NUW8 2/20 0.48
GAA P10253 1/20 0.47
ALDH1A1 P00352 2/20 0.46
GABRA2 P47869 1/20 0.46
GABRB2 P47870 1/20 0.46
MGLL Q99685 1/20 0.46
MEN1 O00255 1/20 0.45

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
SCHEMBL2918042 0.87 RPA1 (0.70) RPA1BCL2MDM2MCL1KMT2A
SCHEMBL6454155 0.85 ALDH1A1 (0.53) CA9TP53RPA1POLBFAAH
SCHEMBL9630738 0.79 CA9 (0.77) CA9TP53RPA1FAAHBCL2
SCHEMBL2918939 0.79 CA9 (0.63) CA9TP53RPA1POLBFAAH
SCHEMBL9054421 0.78 CA9 (0.65) CA9TP53RPA1FAAHBCL2
SCHEMBL2919676 0.78 MGLL (0.58) RPA1ALDH1A1MGLL
SCHEMBL2919032 0.78 CA9 (0.57) CA9TP53FAAHKMT2AMAPT
SCHEMBL17203722 0.77 TP53 (0.53) CA9TP53RPA1POLBFAAH
SCHEMBL28516708 0.77 CA9 (0.58) CA9FAAHBCL2MDM2MCL1
SCHEMBL5524791 0.77 RPA1 (0.46) RPA1BCL2MDM2MCL1ALDH1A1

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-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 CA9 2908/4885TP53 3018/4885RPA1 4200/4885
US-20070219210-A1 Amidopyrazole Derivative PTGER1, PTGS1, PTGER2 CA9 3499/4885TP53 4689/4885RPA1 1661/4885

“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.