SCHEMBL13641045

SCHEMBL13641045

CC1CCc2sc3ncnc(Cl)c3c2C1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.60
KMT2A Q03164 3/20 0.60
NOD2 Q9HC29 1/20 0.60
ALDH1A1 P00352 4/20 0.57
TSHR P16473 3/20 0.57
HSD17B10 Q99714 1/20 0.57
LIMK1 P53667 1/20 0.57
NPC1 O15118 1/20 0.54
FGFR1 P11362 1/20 0.54
CCNA2 P20248 1/20 0.47
CDK2 P24941 1/20 0.47
CCNA1 P78396 1/20 0.47
CSNK2A2 P19784 3/20 0.46
CSNK2B P67870 3/20 0.46
CSNK2A1 P68400 3/20 0.46
LMNA P02545 3/20 0.46
HTT P42858 1/20 0.45
KDM4E B2RXH2 1/20 0.43
PDE4A P27815 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL10343475 1.00 MEN1 (0.60) MEN1KMT2ANOD2ALDH1A1TSHR
SCHEMBL17850662 0.90 LIMK1 (0.70) MEN1KMT2ANOD2ALDH1A1TSHR
SCHEMBL14459722 0.90 LIMK1 (0.70) MEN1KMT2ANOD2ALDH1A1TSHR
SCHEMBL15236810 0.82 TSHR (0.51) MEN1KMT2ANOD2ALDH1A1TSHR
SCHEMBL15236807 0.82 TSHR (0.51) MEN1KMT2ANOD2ALDH1A1TSHR
SCHEMBL15115953 0.81 MEN1 (0.41) MEN1KMT2ANOD2ALDH1A1TSHR
SCHEMBL15236768 0.80 LIMK1 (0.49) MEN1KMT2ANOD2ALDH1A1TSHR
SCHEMBL15236757 0.80 ALDH1A1 (0.45) MEN1KMT2ANOD2ALDH1A1TSHR
SCHEMBL15236718 0.80 ALDH1A1 (0.45) MEN1KMT2ANOD2ALDH1A1TSHR
SCHEMBL15236716 0.80 ALDH1A1 (0.45) MEN1KMT2ANOD2ALDH1A1TSHR

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-3239154-A1 IRAK INHIBITORS AND USES THEREOF Nimbus Iris, Inc. (US) 2017-11-01 EP disclosed
EP-2663312-B1 IRAK INHIBITORS AND USES THEREOF NIMBUS IRIS INC (US) 2017-10-11 EP disclosed
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 MEN1 3741/4885KMT2A 653/4885NOD2 44/4885
US-20160296524-A1 IRAK INHIBITORS AND USES THEREOF IRAK2, IRAK3, IRAK1 MEN1 3741/4885KMT2A 653/4885NOD2 44/4885
US-20120283238-A1 IRAK INHIBITORS AND USES THEREOF IRAK2, IRAK3, IRAK1 MEN1 3741/4885KMT2A 653/4885NOD2 44/4885

“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.