SCHEMBL15115915

SCHEMBL15115915

CC1(C)Cc2c(sc3ncnc(Cl)c23)CO1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.71
LIMK1 P53667 1/20 0.71
GAA P10253 5/20 0.67
RXFP1 Q9HBX9 2/20 0.67
KMT2A Q03164 6/20 0.55
MEN1 O00255 5/20 0.55
ALDH1A1 P00352 11/20 0.53
LMNA P02545 4/20 0.51
CYP1A2 P05177 2/20 0.51
CYP2C19 P33261 2/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
MAPT P10636 3/20 0.50
KDM4E B2RXH2 2/20 0.50
APOBEC3G Q9HC16 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
HPGD P15428 4/20 0.49
L3MBTL1 Q9Y468 1/20 0.47
SMN1; SMN2 Q16637 3/20 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
SCHEMBL15115916 0.83 HSD17B10 (0.71) HSD17B10LIMK1GAARXFP1KMT2A
SCHEMBL15883602 0.79 ALDH1A1 (0.58) HSD17B10LIMK1GAARXFP1KMT2A
SCHEMBL13641199 0.76 LIMK1 (0.56) HSD17B10LIMK1GAARXFP1KMT2A
SCHEMBL6315989 0.72 LIMK1 (0.69) HSD17B10LIMK1GAAALDH1A1LMNA
SCHEMBL15115917 0.71 IRAK4 (0.64) HSD17B10LIMK1GAARXFP1KMT2A
SCHEMBL15227251 0.71 IRAK4 (0.64) HSD17B10LIMK1GAARXFP1KMT2A
SCHEMBL2084659 0.70 LMNA (0.52) HSD17B10LIMK1ALDH1A1LMNA
SCHEMBL15236874 0.70 ALDH1A1 (0.44) HSD17B10LIMK1GAARXFP1KMT2A
SCHEMBL15921481 0.69 LIMK1 (0.51) HSD17B10LIMK1GAARXFP1ALDH1A1
SCHEMBL735589 0.68 LIMK1 (0.66) HSD17B10LIMK1GAAALDH1A1LMNA

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-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-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
WO-2013106535-A9 IRAK INHIBITORS AND USES THEREOF NIMBUS IRIS, INC. (US) 2014-09-04 WO 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
WO-2013106535-A1 IRAK INHIBITORS AND USES THEREOF NIMBUS IRIS, INC. (US) 2013-07-18 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-20160193216-A1 IRAK INHIBITORS AND USES THEREOF IRAK2, IRAK3, IRAK1 HSD17B10 3633/4885LIMK1 334/4885GAA 2969/4885
US-20130231328-A1 IRAK INHIBITORS AND USES THEREOF IRAK2, IRAK3, IRAK1 HSD17B10 3633/4885LIMK1 334/4885GAA 2969/4885

“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.