SCHEMBL5576896

SCHEMBL5576896

O=C1NC(=S)O/C1=C\c1c[nH]c2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 3/20 0.51
RET P07949 2/20 0.51
PRKD3 O94806 2/20 0.51
ABL1 P00519 2/20 0.51
DAPK3 O43293 1/20 0.51
MAP4K4 O95819 1/20 0.51
LCK P06239 1/20 0.51
FYN P06241 1/20 0.51
CSF1R P07333 1/20 0.51
PDGFRB P09619 1/20 0.51
PDGFRA P16234 1/20 0.51
LTK P29376 1/20 0.51
GRK5 P34947 1/20 0.51
KDR P35968 1/20 0.51
FLT3 P36888 1/20 0.51
MAPK8 P45983 1/20 0.51
CSNK1A1 P48729 1/20 0.51
CDK7 P50613 1/20 0.51
RPS6KA3 P51812 1/20 0.51
LIMK1 P53667 1/20 0.51

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
SCHEMBL5576480 0.86 NTRK1 (0.53) NTRK1RETPRKD3ABL1DAPK3
SCHEMBL5576481 0.86 NTRK1 (0.53) NTRK1RETPRKD3ABL1DAPK3
SCHEMBL5576484 0.86 NTRK1 (0.53) NTRK1RETPRKD3ABL1DAPK3
SCHEMBL6015997 0.81 MEN1 (0.60) NTRK1RETPRKD3ABL1DAPK3
SCHEMBL6015995 0.81 MEN1 (0.60) NTRK1RETPRKD3ABL1DAPK3
SCHEMBL8207262 0.78 ACHE (0.55) NTRK1RETPRKD3ABL1PDGFRB
SCHEMBL8207266 0.78 ACHE (0.55) NTRK1RETPRKD3ABL1PDGFRB
SCHEMBL8186719 0.77 SIRT2 (0.58) KDM4ERAB9AMAPTALDH1A1LMNA
SCHEMBL8186721 0.77 SIRT2 (0.58) KDM4ERAB9AMAPTALDH1A1LMNA
SCHEMBL12537517 0.76 PIK3CA (0.51) NTRK1RETPRKD3ABL1DAPK3

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
US-20070060606-A1 Compounds and methods for modulating phosphodiesterase 10A DALHOUSIE UNIVERSITY (CA) 2007-03-15 US claimed
US-20070060606-A1 Compounds and methods for modulating phosphodiesterase 10A DALHOUSIE UNIVERSITY (CA) 2007-03-15 US disclosed
US-20070060606-A1 Compounds and methods for modulating phosphodiesterase 10A DALHOUSIE UNIVERSITY (CA) 2007-03-15 US disclosed
US-20070060606-A1 Compounds and methods for modulating phosphodiesterase 10A DALHOUSIE UNIVERSITY (CA) 2007-03-15 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-20070060606-A1 Compounds and methods for modulating phosphodiesterase 10A PDE7A, PDE10A, PDE2A NTRK1 684/4885RET 1639/4885PRKD3 236/4885

“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.