SCHEMBL2914729

SCHEMBL2914729

COc1ccnc(-c2cc(C(=O)O)nn2-c2ccc(OC)nn2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPA1 P27694 6/20 0.44
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CCR1 P32246 1/20 0.41
CCR5 P51681 1/20 0.41
CCR8 P51685 1/20 0.41
TSHR P16473 1/20 0.38
MARS1 P56192 1/20 0.37
MDM2 Q00987 5/20 0.37
MCL1 Q07820 4/20 0.37
BCL2 P10415 3/20 0.37
KDM5A P29375 2/20 0.37
KDM4C Q9H3R0 2/20 0.37
KDM5B Q9UGL1 2/20 0.37
NSD2 O96028 1/20 0.36
NSD1 Q96L73 1/20 0.36
NSD3 Q9BZ95 1/20 0.36
LPAR5 Q9H1C0 1/20 0.36

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
SCHEMBL5516492 0.90 ALDH1A1 (0.41) RPA1ALDH1A1KDM4EGAAL3MBTL1
SCHEMBL2914146 0.85 RPA1 (0.45) RPA1ALDH1A1TSHRMARS1MDM2
SCHEMBL5266195 0.84 RPA1 (0.39) RPA1ALDH1A1KDM4EGAAL3MBTL1
SCHEMBL2921256 0.84 CFTR (0.44) ALDH1A1KDM4EGAACCR1CCR5
SCHEMBL2909942 0.83 RPA1 (0.51) RPA1ALDH1A1KDM4EGAAL3MBTL1
SCHEMBL5269263 0.82 RPA1 (0.40) RPA1ALDH1A1KDM4EGAAL3MBTL1
SCHEMBL5522493 0.82 KDM4C (0.51) ALDH1A1KDM4ETSHRKDM5AKDM4C
SCHEMBL5522342 0.80 JMJD6 (0.39) ALDH1A1KDM4ECCR1CCR5CCR8
SCHEMBL5266306 0.80 ECE1 (0.43) RPA1ALDH1A1KDM4EGAAL3MBTL1
SCHEMBL5266552 0.80 ALDH1A1 (0.43) RPA1ALDH1A1KDM4EGAAL3MBTL1

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 4200/4885ALDH1A1 139/4885KDM4E 4322/4885

“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.