SCHEMBL3352960

SCHEMBL3352960

O=C1NCCc2cc[c]cc2N1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 1/20 0.39
PARP10 Q53GL7 7/20 0.33
PARP1 P09874 5/20 0.33
PARP11 Q9NR21 3/20 0.33
PDPK1 O15530 1/20 0.33
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
NPC1 O15118 1/20 0.31
MAPK13 O15264 1/20 0.31
MAPK12 P53778 1/20 0.31
MAPK11 Q15759 1/20 0.31
MAPK14 Q16539 1/20 0.31
F7 P08709 1/20 0.30
F3 P13726 1/20 0.30
DRD2 P14416 1/20 0.30
DRD4 P21917 1/20 0.30

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
SCHEMBL3357269 0.86 CRBN (0.39) CRBNPARP10PARP1PARP11PDPK1
SCHEMBL3352684 0.82 PDE3B (0.42) CRBNPDE3BPDE3A
SCHEMBL104221 0.81
SCHEMBL910409 0.77 NPC1 (0.55) CRBNPDE3BPDE3ANPC1MAPK13
SCHEMBL1196991 0.74 NPC1 (0.57) CRBNPARP10PARP1PARP11PDPK1
SCHEMBL1450276 0.74 MAPT (0.58) CRBNNPC1MAPK13MAPK12MAPK11
SCHEMBL909853 0.71 PARP10 (0.56) PARP10PARP1PARP11PDPK1F7
SCHEMBL1744832 0.71 PDE3B (0.46) CRBNPDE3BPDE3A
SCHEMBL3358269 0.71 NPC1 (0.30) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL104033 0.71 MAPT (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7696195-B2 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-13 US disclosed
US-20050256099-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-17 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-20050256099-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA CRBN 2501/4885PARP10 2271/4885PARP1 2342/4885

“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.