SCHEMBL10343608

SCHEMBL10343608

CCC1CCc2c(sc3ncnc(Cl)c23)C1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.63
TSHR P16473 2/20 0.63
KDM4E B2RXH2 1/20 0.63
LIMK1 P53667 3/20 0.50
LMNA P02545 4/20 0.44
CSNK2A2 P19784 3/20 0.44
CSNK2B P67870 3/20 0.44
CSNK2A1 P68400 3/20 0.44
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 1/20 0.42
CCNA2 P20248 1/20 0.42
CDK2 P24941 1/20 0.42
CCNA1 P78396 1/20 0.42
MAPT P10636 3/20 0.41
TP53 P04637 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40

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
SCHEMBL19523758 1.00 HTT (0.63) HTTTSHRKDM4ELIMK1LMNA
SCHEMBL15236810 0.90 TSHR (0.51) HTTTSHRKDM4ELIMK1LMNA
SCHEMBL15236807 0.90 TSHR (0.51) HTTTSHRKDM4ELIMK1LMNA
SCHEMBL13644100 0.85 HTT (0.64) HTTTSHRKDM4ELIMK1LMNA
SCHEMBL17850662 0.83 LIMK1 (0.70) HTTTSHRKDM4ELIMK1LMNA
SCHEMBL14459722 0.83 LIMK1 (0.70) HTTTSHRKDM4ELIMK1LMNA
SCHEMBL5630969 0.83 CSNK2A2 (0.51) HTTTSHRKDM4ELIMK1LMNA
SCHEMBL14459798 0.82 LIMK1 (0.54) HTTTSHRKDM4ELIMK1LMNA
SCHEMBL23254239 0.81 ALDH1A1 (0.47) HTTTSHRKDM4ELIMK1LMNA
SCHEMBL18863898 0.80 HTT (0.43) HTTTSHRKDM4ELIMK1LMNA

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 11 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
WO-2012097013-A1 IRAK INHIBITORS AND USES THEREOF NIMBUS IRIS, INC. (US) 2012-07-19 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 (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 3378/4885TSHR 3940/4885KDM4E 522/4885
US-20160296524-A1 IRAK INHIBITORS AND USES THEREOF IRAK2, IRAK3, IRAK1 HTT 3378/4885TSHR 3940/4885KDM4E 522/4885
US-20120283238-A1 IRAK INHIBITORS AND USES THEREOF IRAK2, IRAK3, IRAK1 HTT 3378/4885TSHR 3940/4885KDM4E 522/4885

“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.