SCHEMBL844367

SCHEMBL844367

O=C(c1cccs1)C1CNCC[N]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
GAA P10253 3/20 0.40
DAO P14920 1/20 0.40
ALDH1A1 P00352 4/20 0.38
RAB9A P51151 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
NPC1 O15118 3/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
HDAC1 Q13547 1/20 0.38
TSHR P16473 2/20 0.37
HSD17B10 Q99714 2/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
MAPT P10636 1/20 0.37
CACNA2D1 P54289 1/20 0.36
HPGD P15428 3/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 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
SCHEMBL2569683 0.75 KMT2A (0.39) DAOALDH1A1KMT2APOLBTSHR
SCHEMBL4152061 0.74 ALDH1A1 (0.46) CES2CES1GAADAOALDH1A1
SCHEMBL10769591 0.73 CES2 (0.41) CES2CES1DAOHDAC1HPGD
SCHEMBL356961 0.73 CES2 (0.50) CES2CES1GAADAOALDH1A1
SCHEMBL2011472 0.72 CYP2D6 (0.35) RAB9AMEN1KMT2ANPC1LMNA
SCHEMBL4160439 0.72 TSHR (0.46) CES2CES1GAAALDH1A1RAB9A
SCHEMBL844809 0.71 CHRNB2 (0.46) CES2CES1GAAALDH1A1RAB9A
SCHEMBL3559018 0.71 CES2 (0.41) CES2CES1GAAALDH1A1MEN1
SCHEMBL1853130 0.71 CHRNB2 (0.51) CES2CES1ALDH1A1MEN1KMT2A
SCHEMBL229300 0.70 ALDH1A1 (0.51) CES2CES1GAADAOALDH1A1

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
US-20120095005-A1 Fused Bicyclic Pyrazole Derivatives As Kinase Inhibitors UCB PHARMA S.A. (BE) 2012-04-19 US claimed
EP-2432784-A1 FUSED BICYCLIC PYRAZOLE DERIVATIVES AS KINASE INHIBITORS UCB Pharma, S.A. (BE) 2012-03-28 EP claimed
WO-2010133836-A1 FUSED BICYCLIC PYRAZOLE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2010-11-25 WO claimed
US-20120095005-A1 Fused Bicyclic Pyrazole Derivatives As Kinase Inhibitors UCB PHARMA S.A. (BE) 2012-04-19 US disclosed
EP-2432784-A1 FUSED BICYCLIC PYRAZOLE DERIVATIVES AS KINASE INHIBITORS UCB Pharma, S.A. (BE) 2012-03-28 EP disclosed
WO-2010133836-A1 FUSED BICYCLIC PYRAZOLE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2010-11-25 WO 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-20120095005-A1 Fused Bicyclic Pyrazole Derivatives As Kinase Inhibitors PI4KA, PDPK1, PIK3CA CES2 4103/4885CES1 904/4885GAA 1980/4885

“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.