SCHEMBL13640911

SCHEMBL13640911

CC1CCc2c(sc3ncnc(N4CCC(C(N)=O)CC4)c23)C1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.69
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
NOD2 Q9HC29 1/20 0.59
NPC1 O15118 1/20 0.58
LIMK1 P53667 3/20 0.56
CSNK2A2 P19784 3/20 0.53
CSNK2B P67870 3/20 0.53
CSNK2A1 P68400 3/20 0.53
KDM4E B2RXH2 2/20 0.53
HTT P42858 1/20 0.53
LMNA P02545 2/20 0.52
ALDH1A1 P00352 1/20 0.52
CNR1 P21554 3/20 0.51
GPR55 Q9Y2T6 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
CNR2 P34972 1/20 0.47

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
SCHEMBL13641090 0.93 MEN1 (0.70) TSHRMEN1KMT2ANOD2NPC1
SCHEMBL13641087 0.93 MEN1 (0.70) TSHRMEN1KMT2ANOD2NPC1
SCHEMBL13641117 0.88 HTT (0.71) TSHRMEN1KMT2ANOD2NPC1
SCHEMBL13640907 0.86 HTT (0.63) TSHRMEN1KMT2ALIMK1KDM4E
SCHEMBL13640909 0.86 HTT (0.60) TSHRMEN1KMT2ALIMK1KDM4E
SCHEMBL13641206 0.83 MEN1 (0.53) TSHRMEN1KMT2ANOD2NPC1
SCHEMBL16406296 0.83 MEN1 (0.71) TSHRMEN1KMT2ANOD2NPC1
SCHEMBL19444621 0.82 MEN1 (0.70) TSHRMEN1KMT2ANOD2NPC1
SCHEMBL13641151 0.81 MEN1 (0.46) TSHRMEN1KMT2ANOD2NPC1
SCHEMBL10343720 0.78 HTT (0.73) TSHRMEN1KMT2ANOD2NPC1

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 14 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-20160193216-A1 IRAK INHIBITORS AND USES THEREOF NIMBUS IRIS, INC. 2016-07-07 US disclosed
US-20160193216-A1 IRAK INHIBITORS AND USES THEREOF NIMBUS IRIS, INC. 2016-07-07 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-9212190-B2 IRAK inhibitors and uses thereof NIMBUS IRIS, INC. (US) 2015-12-15 US disclosed
US-9212190-B2 IRAK inhibitors and uses thereof NIMBUS IRIS, INC. (US) 2015-12-15 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-20130231328-A1 IRAK INHIBITORS AND USES THEREOF NIMBUS IRIS, INC. (US) 2013-09-05 US disclosed
US-20130231328-A1 IRAK INHIBITORS AND USES THEREOF NIMBUS IRIS, INC. (US) 2013-09-05 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 (5 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 TSHR 3940/4885MEN1 3741/4885KMT2A 653/4885
US-20160296524-A1 IRAK INHIBITORS AND USES THEREOF IRAK2, IRAK3, IRAK1 TSHR 3940/4885MEN1 3741/4885KMT2A 653/4885
US-20160193216-A1 IRAK INHIBITORS AND USES THEREOF IRAK2, IRAK3, IRAK1 TSHR 3940/4885MEN1 3741/4885KMT2A 653/4885
US-20120283238-A1 IRAK INHIBITORS AND USES THEREOF IRAK2, IRAK3, IRAK1 TSHR 3940/4885MEN1 3741/4885KMT2A 653/4885
US-20130231328-A1 IRAK INHIBITORS AND USES THEREOF IRAK2, IRAK3, IRAK1 TSHR 3940/4885MEN1 3741/4885KMT2A 653/4885

“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.