SCHEMBL2913900

SCHEMBL2913900

CCOC(=O)c1cc(-c2ccccn2)n(-c2ccc(Cl)nn2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
KMT2A Q03164 3/20 0.43
GAA P10253 2/20 0.43
TP53 P04637 2/20 0.43
LMNA P02545 2/20 0.43
MEN1 O00255 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
CA9 Q16790 2/20 0.42
HPGD P15428 2/20 0.41
CHRNA7 P36544 1/20 0.41
SLC16A3 O15427 1/20 0.40
SLC16A1 P53985 1/20 0.40
FAAH O00519 2/20 0.40
MAPT P10636 3/20 0.39
KDM4E B2RXH2 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39

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
SCHEMBL5516387 0.89 ALOX5 (0.43) ALDH1A1KMT2AGAATP53LMNA
SCHEMBL2917351 0.89 SLC16A3 (0.40) ALDH1A1KMT2AMEN1RAB9ASLC16A3
SCHEMBL4933068 0.86 CA9 (0.42) KMT2AGAATP53LMNANPC1
SCHEMBL2918705 0.86 CHRNA7 (0.45) KMT2AGAATP53LMNANPC1
SCHEMBL2915553 0.85 TP53 (0.40) ALDH1A1KMT2AGAATP53LMNA
SCHEMBL2919032 0.85 CA9 (0.57) ALDH1A1KMT2AGAATP53LMNA
SCHEMBL13855350 0.85 ALDH1A1 (0.40) ALDH1A1LMNANPC1RAB9ACHRNA7
SCHEMBL5976456 0.84 MARS1 (0.49) ALDH1A1KMT2AMEN1RAB9ASLC16A3
SCHEMBL2912063 0.82 ALDH1A1 (0.47) ALDH1A1KMT2AGAATP53LMNA
SCHEMBL5521156 0.80 ALDH1A1 (0.52) ALDH1A1KMT2AGAATP53LMNA

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 8 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-20070254881-A1 Pyrazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-11-01 US disclosed
US-20070219210-A1 Amidopyrazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-09-20 US disclosed
EP-1785418-A1 PYRAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-05-16 EP 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 (3 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-20070254881-A1 Pyrazole Derivative PTGER1, PTGS1, PTGER2 ALDH1A1 111/4885KMT2A 3446/4885GAA 4708/4885
US-20060128685-A1 Pyrazole derivative PTGS1, PTGS2, PTGER1 ALDH1A1 139/4885KMT2A 4370/4885GAA 3552/4885
US-20070219210-A1 Amidopyrazole Derivative PTGER1, PTGS1, PTGER2 ALDH1A1 171/4885KMT2A 2339/4885GAA 4735/4885

“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.