SCHEMBL5101701

SCHEMBL5101701

C[C@@H]1CN(Cc2ccc(C(N)=O)cc2)C[C@H](C)O1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.50
HDAC6 Q9UBN7 2/20 0.49
GAA P10253 1/20 0.49
POLB P06746 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
KDM4E B2RXH2 3/20 0.47
HTT P42858 1/20 0.47
AGTR1 P30556 1/20 0.45
AGTR2 P50052 1/20 0.45
MAPK8 P45983 1/20 0.45
ALDH1A1 P00352 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
CYP2A13 Q16696 1/20 0.44
HPGD P15428 1/20 0.44
CYP2C19 P33261 1/20 0.44
NPC1 O15118 1/20 0.44
LMNA P02545 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL1013993 0.86 HDAC6 (0.50) HDAC6POLBKMT2AKDM4EHTT
SCHEMBL30134141 0.86 HDAC6 (0.50) HDAC6GAAPOLBMEN1KMT2A
SCHEMBL2279677 0.86 HDAC6 (0.50) HDAC6GAAPOLBMEN1KMT2A
SCHEMBL1014253 0.84 NPC1 (0.61) HDAC6MEN1KMT2AALDH1A1HPGD
SCHEMBL1070069 0.84 NPC1 (0.61) HDAC6MEN1KMT2AALDH1A1HPGD
SCHEMBL31043119 0.82 MEN1 (0.58) HDAC6GAAPOLBMEN1KMT2A
SCHEMBL13724908 0.82 MLNR (0.52) GAAMEN1KMT2A
SCHEMBL4148981 0.79 KDM4E (0.53) HDAC6GAAPOLBKDM4EHTT
SCHEMBL22711368 0.79 KDM4E (0.53) HDAC6GAAPOLBKDM4EHTT
SCHEMBL12156566 0.79 KDM4E (0.53) GAAPOLBKDM4EHTTAGTR1

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-20080300264-A1 SUBSTITUTED THIATRIAZAACENAPHTHYLENE-6-CARBONITRILE KINASE INHIBITORS CONNOLLY PETER J 2008-12-04 US disclosed
US-7427625-B2 Substituted thiatriazaacenaphthylene-6-carbonitrile kinase inhibitors JANSSEN PHARMACEUTICA, N.V. (BE) 2008-09-23 US disclosed
US-20070225309-A1 SUBSTITUTED THIATRIAZAACENAPHTHYLENE-6-CARBONITRILE KINASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-09-27 US disclosed
WO-2007092879-A2 SUBSTITUTED THIATRIAZAACENAPHTHYLENE-6-CARBONITRILE KINASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-08-16 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-20070225309-A1 SUBSTITUTED THIATRIAZAACENAPHTHYLENE-6-CARBONITRILE KINASE INHIBITORS MAP3K11, MAP3K6, MAP4K2 GRM2 2630/4885HDAC6 2478/4885GAA 2069/4885
US-20080300264-A1 SUBSTITUTED THIATRIAZAACENAPHTHYLENE-6-CARBONITRILE KINASE INHIBITORS MAP3K11, MAP3K6, MAP4K2 GRM2 2630/4885HDAC6 2478/4885GAA 2069/4885

“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.