SCHEMBL460767

SCHEMBL460767

Cc1cn(CC(=O)c2ccc(I)cc2)cn1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALPL P05186 4/20 0.66
PLAA Q9Y263 3/20 0.66
ALPG P10696 3/20 0.64
L3MBTL1 Q9Y468 1/20 0.46
CYP19A1 P11511 1/20 0.39
RAB9A P51151 2/20 0.38
PKM P14618 1/20 0.37
SRC P12931 1/20 0.37
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL4969959 0.84 ALPL (0.65) ALPLPLAAALPGL3MBTL1SRC
SCHEMBL11997951 0.73 ALPL (0.54) ALPLPLAAALPGRAB9ASMN1; SMN2
SCHEMBL4832580 0.73 ALPL (0.54) ALPLPLAAALPGMAPT
SCHEMBL9996110 0.72 CYP19A1 (0.72) PLAAALPGL3MBTL1CYP19A1
SCHEMBL1178916 0.72 ALPL (0.53) ALPLPLAAALPGRAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL11004010 0.71 ALPL (0.60) ALPLPLAAALPGL3MBTL1MAPT
SCHEMBL14079162 0.71 ALPL (0.56) ALPLPLAAALPGL3MBTL1MAPT
SCHEMBL4890004 0.70 ALPL (0.51) ALPLPLAAALPGRAB9ANPC1
SCHEMBL2961993 0.69 ALPL (0.50) ALPLPLAAALPGRAB9ASMN1; SMN2
SCHEMBL7565291 0.69 ALPL (0.50) ALPLPLAAALPGPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2614054-B1 ETHYNE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INT (DE) 2014-11-19 EP disclosed
US-8877754-B2 Compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-04 US disclosed
US-8877754-B2 Compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-04 US disclosed
US-8877754-B2 Compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-04 US disclosed
EP-2614054-A1 ETHYNE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF Boehringer Ingelheim International GmbH (DE) 2013-07-17 EP disclosed
US-20120214782-A1 New compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-23 US disclosed
US-20120214782-A1 New compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-23 US disclosed
US-20120214782-A1 New compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-23 US disclosed
WO-2012032014-A1 ETHYNE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-03-15 WO disclosed
WO-2012032014-A1 ETHYNE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-03-15 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-20120214782-A1 New compounds, pharmaceutical compositions and uses thereof ABCG2, PGA5, PDE6G ALPL 685/4885PLAA 1747/4885ALPG 1335/4885

“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.