SCHEMBL4113454

SCHEMBL4113454

Clc1nc(N2CCOCC2)c2cc(Br)ccc2n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.59
HTT P42858 4/20 0.50
MAPT P10636 4/20 0.48
KDM4E B2RXH2 4/20 0.48
HPGD P15428 2/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
PIK3CA P42336 1/20 0.47
MAPK1 P28482 2/20 0.45
AHR P35869 1/20 0.45
ALDH1A1 P00352 4/20 0.45
GLA P06280 1/20 0.45
GAA P10253 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
POLB P06746 1/20 0.43
PDE10A Q9Y233 3/20 0.43
CASP1 P29466 1/20 0.43
HSD17B10 Q99714 1/20 0.43
USP2 O75604 1/20 0.41

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
SCHEMBL2726311 0.89 SMN1; SMN2 (0.59) SMN1; SMN2MAPTKDM4EHPGDNPC1
SCHEMBL3776763 0.86 SMN1; SMN2 (0.61) SMN1; SMN2MAPTKDM4EHPGDNPC1
SCHEMBL9404419 0.83 SMN1; SMN2 (0.59) SMN1; SMN2MAPTKDM4EHPGDNPC1
SCHEMBL4362811 0.83 HRH4 (0.56) HTTMAPTKDM4EHPGDNPC1
SCHEMBL4752516 0.80 SMN1; SMN2 (0.55) SMN1; SMN2MAPTKDM4EHPGDNPC1
SCHEMBL18421138 0.80 PDE10A (0.51) SMN1; SMN2HTTMAPTKDM4EHPGD
SCHEMBL4095134 0.80 KDM4E (0.69) SMN1; SMN2HTTMAPTKDM4EHPGD
SCHEMBL4792397 0.79 SMN1; SMN2 (0.57) SMN1; SMN2HTTMAPTKDM4EHPGD
SCHEMBL29740215 0.79 MTOR (0.47) HTT
SCHEMBL28621653 0.79 MTOR (0.47) HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8318730-B2 Fused hetrocyclic compounds SYNTA PHARMACEUTICALS CORPORATION (US) 2012-11-27 US disclosed
US-8318730-B2 Fused hetrocyclic compounds SYNTA PHARMACEUTICALS CORPORATION (US) 2012-11-27 US disclosed
US-8318730-B2 Fused hetrocyclic compounds SYNTA PHARMACEUTICALS CORPORATION (US) 2012-11-27 US disclosed
US-7615552-B2 Fused heterocyclic compounds SYNTA PHARMACEUTICALS CORP. (US) 2009-11-10 US disclosed
US-7615552-B2 Fused heterocyclic compounds SYNTA PHARMACEUTICALS CORP. (US) 2009-11-10 US disclosed
US-7615552-B2 Fused heterocyclic compounds SYNTA PHARMACEUTICALS CORP. (US) 2009-11-10 US disclosed
US-20090253694-A1 Fused hetrocyclic compounds SYNTA PHARMACEUTICALS CORP. (US) 2009-10-08 US disclosed
US-20090253694-A1 Fused hetrocyclic compounds SYNTA PHARMACEUTICALS CORP. (US) 2009-10-08 US disclosed
US-20090253694-A1 Fused hetrocyclic compounds SYNTA PHARMACEUTICALS CORP. (US) 2009-10-08 US disclosed
WO-2008152387-A1 QUINAZOLINE DERIVATIVES AS PI3 KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2008-12-18 WO disclosed
WO-2008152387-A1 QUINAZOLINE DERIVATIVES AS PI3 KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2008-12-18 WO disclosed
EP-1687002-A4 FUSED HETEROCYCLIC COMPOUNDS SYNTA PHARMACEUTICALS CORP (US) 2008-07-23 EP disclosed
EP-1687002-A1 FUSED HETEROCYCLIC COMPOUNDS Synta Pharmaceuticals Corporation (US) 2006-08-09 EP disclosed
US-20050250770-A1 Fused heterocyclic compounds LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2005-11-10 US disclosed
WO-2005046698-A1 FUSED HETEROCYCLIC COMPOUNDS SYNTA PHARMACEUTICALS, CORP. (US) 2005-05-26 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 (2 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-20050250770-A1 Fused heterocyclic compounds IL2, IL4, IL15 SMN1; SMN2 1865/4885HTT 123/4885MAPT 1771/4885
US-20090253694-A1 Fused hetrocyclic compounds IL2, IL15, IL4 SMN1; SMN2 2900/4885HTT 152/4885MAPT 2861/4885

“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.