SCHEMBL16604690

SCHEMBL16604690

Cc1cc(N[C@H]2CC[C@H](C)CC2)c2nc(C)sc2n1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 8/20 0.39
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
PI4KB Q9UBF8 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.32
LMNA P02545 2/20 0.32
POLB P06746 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ADORA1 P30542 3/20 0.32
ADORA3 P0DMS8 2/20 0.32
ADORA2A P29274 2/20 0.32
ADORA2B P29275 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CD38 P28907 1/20 0.31

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
SCHEMBL16604694 0.75 MCHR1 (0.39) CHRM4KDM4EPOLB
SCHEMBL16604692 0.73 IRAK4 (0.36) CHRM4KDM4EALDH1A1IRAK4
SCHEMBL16604693 0.72 CHRM4 (0.34) CHRM4KDM4EALDH1A1NPC1RAB9A
SCHEMBL7357755 0.63 MCHR1 (0.43) KDM4ERAB9AIRAK4
SCHEMBL7364277 0.63 MCHR1 (0.40) KDM4EALDH1A1PI4KBLMNAMEN1
SCHEMBL16604689 0.61 IKBKB (0.38) CHRM4KDM4EALDH1A1IRAK4LMNA
SCHEMBL24405526 0.61 CYP11B1 (0.40) KDM4EALDH1A1NPC1RAB9API4KB
SCHEMBL14506849 0.61 LMNA (0.43) KDM4EALDH1A1LMNAPOLBMEN1
SCHEMBL2369879 0.60 DNM2 (0.49) KDM4ELMNAPOLBSMN1; SMN2
SCHEMBL8931278 0.60 BRD4 (0.46) LMNAMEN1KMT2A

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 CHRM4 4550/4885KDM4E 522/4885ALDH1A1 4076/4885
US-20150094305-A1 IRAK INHIBITORS AND USES THEREOF IRAK2, IRAK3, IRAK1 CHRM4 4550/4885KDM4E 522/4885ALDH1A1 4076/4885

“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.