SCHEMBL2111736

SCHEMBL2111736

ClCc1cc2c(cc1Br)OCCO2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
MAPT P10636 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
BLM P54132 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
HSP90AA1 P07900 3/20 0.36
HSP90B1 P14625 3/20 0.36
TRAP1 Q12931 3/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
MAOB P27338 1/20 0.35
L3MBTL4 Q8NA19 1/20 0.33
HPGD P15428 2/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL11182069 0.89 CYP3A4 (0.43) MEN1KMT2AMAPTHTTSMN1; SMN2
SCHEMBL30715309 0.77 CRHBP (0.36) MEN1KMT2AMAPTSMN1; SMN2CYP2D6
SCHEMBL26696476 0.77 CRHBP (0.36) MEN1KMT2AMAPTSMN1; SMN2CYP2D6
SCHEMBL3526305 0.77 AHR (0.53) MEN1KMT2AMAPTL3MBTL1LMNA
SCHEMBL30360652 0.76 MEN1 (0.43) MEN1KMT2AMAPTL3MBTL1LMNA
SCHEMBL19812792 0.76 MEN1 (0.43) MEN1KMT2AMAPTL3MBTL1LMNA
SCHEMBL11697187 0.74 PTPN1 (0.31)
SCHEMBL10534417 0.72 CYP3A4 (0.41) MAPTHTTSMN1; SMN2CYP1A2CYP3A4
SCHEMBL3526160 0.71 AHR (0.62) MEN1KMT2AMAPTL3MBTL1LMNA
SCHEMBL14583969 0.70 MAPT (0.61) MEN1KMT2AMAPTL3MBTL1LMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8158638-B2 Pyrazolopyrimidine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-04-17 US disclosed
US-20100113410-A1 PYRAZOLOPYRIMIDINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-05-06 US disclosed
EP-2065388-A1 PYRAZOLOPYRIMIDINE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2009-06-03 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-20100113410-A1 PYRAZOLOPYRIMIDINE DERIVATIVE HSP90AB1, HSP90B1, HSP90AA1 MEN1 4374/4885KMT2A 4261/4885MAPT 3390/4885

“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.