SCHEMBL16604693

SCHEMBL16604693

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

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 11/20 0.34
KDM4E B2RXH2 2/20 0.31
GLA P06280 1/20 0.31
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
HTT P42858 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL16604697 0.74
SCHEMBL16604689 0.74 IKBKB (0.38) CHRM4KDM4EGLAALDH1A1HPGD
SCHEMBL16604690 0.72 CHRM4 (0.39) CHRM4KDM4ENPC1ALDH1A1RAB9A
SCHEMBL16604694 0.72 MCHR1 (0.39) CHRM4KDM4E
SCHEMBL15425340 0.72 KMT2A (0.44) KDM4ENPC1ALDH1A1HPGDHTT
SCHEMBL16604687 0.70
SCHEMBL15425333 0.61 ALDH1A1 (0.43) CHRM4KDM4ENPC1ALDH1A1HPGD
SCHEMBL16191112 0.59 ACHE (0.54) ALDH1A1RAB9A
SCHEMBL26362410 0.58 FEN1 (0.33)
SCHEMBL18926561 0.58 SLC6A4 (0.39) KDM4ENPC1ALDH1A1HPGDRAB9A

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 522/4885GLA 3585/4885
US-20150094305-A1 IRAK INHIBITORS AND USES THEREOF IRAK2, IRAK3, IRAK1 CHRM4 4550/4885KDM4E 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.