SCHEMBL13640909

SCHEMBL13640909

NC(=O)C1CCN(c2ncnc3sc4c(c23)CCC4)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.60
ALDH1A1 P00352 6/20 0.60
LMNA P02545 3/20 0.60
GAA P10253 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
STAT3 P40763 1/20 0.60
TSHR P16473 5/20 0.59
MAPK1 P28482 4/20 0.59
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
MAPT P10636 2/20 0.59
NPSR1 Q6W5P4 2/20 0.59
ALOX15 P16050 2/20 0.59
ALOX12 P18054 1/20 0.59
MCL1 Q07820 1/20 0.59
HSD17B10 Q99714 1/20 0.59
DRD2 P14416 1/20 0.59
KDM4E B2RXH2 2/20 0.58
POLB P06746 1/20 0.57
HPGD P15428 1/20 0.57

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
SCHEMBL13640907 0.98 HTT (0.63) HTTALDH1A1LMNAGAASMN1; SMN2
SCHEMBL13640911 0.86 TSHR (0.69) HTTALDH1A1LMNASMN1; SMN2TSHR
SCHEMBL13641206 0.86 MEN1 (0.53) HTTALDH1A1LMNAGAASMN1; SMN2
SCHEMBL13641090 0.85 MEN1 (0.70) HTTALDH1A1LMNAGAASMN1; SMN2
SCHEMBL13641087 0.85 MEN1 (0.70) HTTALDH1A1LMNAGAASMN1; SMN2
SCHEMBL13641058 0.84 HTT (0.67) HTTALDH1A1LMNAGAASMN1; SMN2
SCHEMBL13641151 0.83 MEN1 (0.46) HTTALDH1A1LMNAGAASMN1; SMN2
SCHEMBL13641117 0.82 HTT (0.71) HTTALDH1A1LMNAGAASMN1; SMN2
SCHEMBL16406276 0.81 ALDH1A1 (0.68) HTTALDH1A1LMNAGAASMN1; SMN2
SCHEMBL13641147 0.81 STAT3 (0.71) HTTALDH1A1LMNAGAASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160296524-A1 IRAK INHIBITORS AND USES THEREOF NIMBUS IRIS INC (US) 2016-10-13 US disclosed
US-20160296524-A1 IRAK INHIBITORS AND USES THEREOF NIMBUS IRIS INC (US) 2016-10-13 US disclosed
US-9340554-B2 IRAK inhibitors and uses thereof NIMBUS IRIS, INC. (US) 2016-05-17 US disclosed
US-9340554-B2 IRAK inhibitors and uses thereof NIMBUS IRIS, INC. (US) 2016-05-17 US disclosed
US-20150025093-A1 IRAK INHIBITORS AND USES THEREOF NIMBUS IRIS, INC. (US) 2015-01-22 US disclosed
US-20150025093-A1 IRAK INHIBITORS AND USES THEREOF NIMBUS IRIS, INC. (US) 2015-01-22 US disclosed
US-20120283238-A1 IRAK INHIBITORS AND USES THEREOF NIMBUS IRIS, INC. (US) 2012-11-08 US disclosed
US-20120283238-A1 IRAK INHIBITORS AND USES THEREOF NIMBUS IRIS, INC. (US) 2012-11-08 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 (3 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-20150025093-A1 IRAK INHIBITORS AND USES THEREOF IRAK2, IRAK3, IRAK1 HTT 3378/4885ALDH1A1 4076/4885LMNA 1120/4885
US-20160296524-A1 IRAK INHIBITORS AND USES THEREOF IRAK2, IRAK3, IRAK1 HTT 3378/4885ALDH1A1 4076/4885LMNA 1120/4885
US-20120283238-A1 IRAK INHIBITORS AND USES THEREOF IRAK2, IRAK3, IRAK1 HTT 3378/4885ALDH1A1 4076/4885LMNA 1120/4885

“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.