SCHEMBL10325529

SCHEMBL10325529

CCc1cc2c(N3CCC(C(N)=O)CC3)ncnc2s1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.63
ALDH1A1 P00352 3/20 0.63
TSHR P16473 2/20 0.63
HRH4 Q9H3N8 1/20 0.63
KDM4E B2RXH2 1/20 0.63
LMNA P02545 1/20 0.63
HTT P42858 3/20 0.62
MEN1 O00255 12/20 0.61
P2RY12 Q9H244 5/20 0.61
KMT2A Q03164 6/20 0.60
TP53 P04637 1/20 0.58
MAPT P10636 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
ALOX15 P16050 1/20 0.55
MAPK1 P28482 1/20 0.55

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
SCHEMBL10325298 0.90 MEN1 (0.65) SMN1; SMN2ALDH1A1TSHRHRH4KDM4E
SCHEMBL10325979 0.87 MAPK1 (0.61) SMN1; SMN2ALDH1A1TSHRHRH4KDM4E
SCHEMBL10343572 0.84 SMN1; SMN2 (0.70) SMN1; SMN2ALDH1A1TSHRHRH4KDM4E
SCHEMBL5848931 0.84 MEN1 (0.72) SMN1; SMN2ALDH1A1TSHRHRH4KDM4E
SCHEMBL10343717 0.83 SMN1; SMN2 (0.69) SMN1; SMN2ALDH1A1TSHRHRH4KDM4E
Hydrochloric Acid SCHEMBL10324862 0.83 SMN1; SMN2 (0.73) SMN1; SMN2ALDH1A1TSHRHRH4KDM4E
SCHEMBL5849560 0.83 MEN1 (0.69) SMN1; SMN2ALDH1A1TSHRHRH4KDM4E
SCHEMBL13641261 0.83 SMN1; SMN2 (0.72) SMN1; SMN2ALDH1A1TSHRHRH4KDM4E
Hydrochloric Acid SCHEMBL10325733 0.82 SMN1; SMN2 (0.71) SMN1; SMN2ALDH1A1TSHRHRH4KDM4E
SCHEMBL5848991 0.81 MEN1 (0.65) SMN1; SMN2ALDH1A1TSHRHRH4KDM4E

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 15 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-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
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-8703941-B2 IRAK inhibitors and uses thereof NIMBUS IRIS, INC. (US) 2014-04-22 US disclosed
EP-2663312-A1 IRAK INHIBITORS AND USES THEREOF Nimbus Iris, Inc. (US) 2013-11-20 EP 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 SMN1; SMN2 2457/4885ALDH1A1 4076/4885TSHR 3940/4885
US-20160296524-A1 IRAK INHIBITORS AND USES THEREOF IRAK2, IRAK3, IRAK1 SMN1; SMN2 2457/4885ALDH1A1 4076/4885TSHR 3940/4885
US-20120283238-A1 IRAK INHIBITORS AND USES THEREOF IRAK2, IRAK3, IRAK1 SMN1; SMN2 2457/4885ALDH1A1 4076/4885TSHR 3940/4885

“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.