SCHEMBL16604689

SCHEMBL16604689

CCc1cc(C)nc2sc(C)nc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 5/20 0.38
KDM4E B2RXH2 9/20 0.37
GLA P06280 2/20 0.37
MAPT P10636 6/20 0.36
ALDH1A1 P00352 6/20 0.36
HPGD P15428 6/20 0.36
GAA P10253 3/20 0.36
POLB P06746 3/20 0.36
ATM Q13315 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HSD17B10 Q99714 2/20 0.36
MAPK1 P28482 2/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
LMNA P02545 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL16604693 0.74 CHRM4 (0.34) KDM4EGLAALDH1A1HPGDSMN1; SMN2
SCHEMBL16604725 0.73 KDM4E (0.40) KDM4EMAPTALDH1A1HPGDPOLB
SCHEMBL15425314 0.66 LMNA (0.46) IKBKBKDM4EMAPTALDH1A1SMN1; SMN2
SCHEMBL16604682 0.65 ADORA3 (0.33) KDM4EHSD17B10MAPK1ADORA3ADORA2A
SCHEMBL17339844 0.65 ADORA3 (0.34) KDM4EMAPTALDH1A1HPGDGAA
SCHEMBL10729441 0.63 ALDH1A1 (0.33) IKBKBKDM4EALDH1A1HPGDPOLB
SCHEMBL20857368 0.63 KDM4E (0.38) KDM4EMAPTALDH1A1HPGDPOLB
SCHEMBL17914183 0.63 KDM4E (0.45) KDM4EGLAMAPTALDH1A1HPGD
SCHEMBL12109857 0.63 MEN1 (0.51) KDM4EMAPTALDH1A1GAASMN1; SMN2
SCHEMBL22758216 0.63 MALT1 (0.42) KDM4EHSD17B10MAPK1ADORA1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170035766-A1 IRAK INHIBITORS AND USES THEREOF NIMBUS IRIS INC (US) 2017-02-09 US disclosed
US-9518065-B2 IRAK inhibitors and uses thereof NIMBUS IRIS, INC. (US) 2016-12-13 US disclosed
US-20150094305-A1 IRAK INHIBITORS AND USES THEREOF NIMBUS IRIS, INC. 2015-04-02 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 (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-20170035766-A1 IRAK INHIBITORS AND USES THEREOF IRAK2, IRAK3, IRAK1 IKBKB 20/4885KDM4E 522/4885GLA 3585/4885
US-20150094305-A1 IRAK INHIBITORS AND USES THEREOF IRAK2, IRAK3, IRAK1 IKBKB 20/4885KDM4E 522/4885GLA 3585/4885

“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.