SCHEMBL2912063

SCHEMBL2912063

CCOC(=O)c1cc(-c2ccccn2)n(-c2ccc(Br)cn2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
KMT2A Q03164 5/20 0.44
MEN1 O00255 4/20 0.44
NPC1 O15118 4/20 0.43
RAB9A P51151 3/20 0.43
HPGD P15428 2/20 0.43
GAA P10253 2/20 0.43
TP53 P04637 2/20 0.43
CA9 Q16790 1/20 0.42
MAPT P10636 4/20 0.41
KDM4E B2RXH2 3/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
LMNA P02545 2/20 0.40
USP2 O75604 1/20 0.40
TSHR P16473 1/20 0.40
ELANE P08246 1/20 0.39
CASP1 P29466 1/20 0.39
HSD17B10 Q99714 1/20 0.39
THRB P10828 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
SCHEMBL27638852 0.84 MARS1 (0.47) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL2913900 0.82 ALDH1A1 (0.44) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL15529788 0.81 SLC34A1 (0.43) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL4932988 0.81 ALDH1A1 (0.53) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL5525612 0.80 ALDH1A1 (0.53) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL5521156 0.80 ALDH1A1 (0.52) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL2917819 0.79 CA9 (0.50) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL5526251 0.78 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL31039785 0.78 KMT2A (0.50) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL2160099 0.78 KMT2A (0.50) ALDH1A1KMT2AMEN1NPC1RAB9A

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 ALDH1A1 139/4885KMT2A 4370/4885MEN1 4127/4885
US-20070219210-A1 Amidopyrazole Derivative PTGER1, PTGS1, PTGER2 ALDH1A1 171/4885KMT2A 2339/4885MEN1 2899/4885

“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.