SCHEMBL14736721

SCHEMBL14736721

BrCc1nc2ccccn2n1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.46
JAK3 P52333 1/20 0.46
PDE10A Q9Y233 12/20 0.42
CYP11B2 P19099 1/20 0.41
KDM4E B2RXH2 5/20 0.36
ALDH1A1 P00352 3/20 0.36
NPC1 O15118 2/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
HSD17B10 Q99714 1/20 0.36
POLB P06746 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL2717765 0.81 JAK2 (0.46) JAK2JAK3PDE10ACYP11B2KDM4E
SCHEMBL10271750 0.81 JAK2 (0.46) JAK2JAK3PDE10ACYP11B2KDM4E
SCHEMBL10277904 0.81 JAK2 (0.46) JAK2JAK3PDE10ACYP11B2KDM4E
SCHEMBL14352211 0.78 PDE10A (0.46) JAK2JAK3PDE10ACYP11B2KDM4E
SCHEMBL18911313 0.78 PDE10A (0.49) JAK2JAK3PDE10ACYP11B2KDM4E
SCHEMBL14352106 0.77 JAK2 (0.42) JAK2JAK3PDE10ACYP11B2KDM4E
SCHEMBL9968620 0.77 JAK2 (0.46) JAK2JAK3PDE10ACYP11B2KDM4E
SCHEMBL11413826 0.75 PDE10A (0.44) JAK2JAK3PDE10ACYP11B2KDM4E
SCHEMBL9941419 0.75 JAK2 (0.45) JAK2JAK3PDE10ACYP11B2POLB
SCHEMBL11410227 0.75 PDE10A (0.47) JAK2JAK3PDE10ACYP11B2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2753604-B1 PDE10 MODULATORS HOFFMANN LA ROCHE (CH) 2015-08-19 EP disclosed
US-8772510-B2 PDE10 modulators HOFFMANN-LA ROCHE INC. (US) 2014-07-08 US disclosed
WO-2013034506-A1 PDE10 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2013-03-14 WO disclosed
US-20130059833-A1 PDE10 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2013-03-07 US 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-20130059833-A1 PDE10 MODULATORS PDE10A, PDE5A, PDE2A JAK2 2156/4885JAK3 1818/4885PDE10A 1/4885

“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.