SCHEMBL21580062

SCHEMBL21580062

CC(C)(Oc1cccc(CNC(=O)c2ccn3ccnc3c2)c1)c1ccccc1F

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 8/20 0.47
▸ MMP13 P45452 2/20 0.44
▸ ROCK2 O75116 5/20 0.44
▸ ROCK1 Q13464 4/20 0.44
▸ MAPK14 Q16539 1/20 0.43
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ AURKA O14965 1/20 0.40
▸ PRKACA P17612 1/20 0.40
▸ GRK5 P34947 1/20 0.40
▸ PRKX P51817 1/20 0.40
▸ PRKCQ Q04759 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40

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
SCHEMBL21580095 0.91 NAMPT (0.49) NAMPTCYP2D6CYP2C9LMNAHTT
SCHEMBL21580050 0.83 HPGD (0.42) ROCK2ROCK1MAPK14
SCHEMBL21580049 0.82 NAMPT (0.49) NAMPTMMP13ROCK2ROCK1CYP3A4
SCHEMBL21580145 0.75 PPARG (0.41) ROCK2ROCK1MAPK14
SCHEMBL21580112 0.75 NAMPT (0.52) NAMPTCYP2C9HTTSMN1; SMN2HDAC1
SCHEMBL23686674 0.73 PPARA (0.42) LMNASMN1; SMN2HDAC1
SCHEMBL21580052 0.71 NAMPT (0.44) NAMPTROCK2LMNAHDAC1
SCHEMBL23692096 0.71 NPC1 (0.43) MMP13ROCK2ROCK1CYP3A4CYP2D6
SCHEMBL21580069 0.71 MAPT (0.43) MMP13ROCK2ROCK1CYP3A4CYP2D6
SCHEMBL15377165 0.70 NAMPT (0.72) NAMPTMMP13MAPK14CYP3A4LMNA

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-11384085-B2 Modulators of ion channel receptors and uses thereof BIONOMICS LIMITED (AU) 2022-07-12 — — US disclosed
US-20210230165-A1 MODULATORS OF ION CHANNEL RECEPTORS AND USES THEREOF BIONOMICS LIMITED (AU) 2021-07-29 — — US disclosed
WO-2019218025-A1 MODULATORS OF ION CHANNEL RECEPTORS AND USES THEREOF BIONOMICS LIMITED (AU) 2019-11-21 — — 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-20210230165-A1 MODULATORS OF ION CHANNEL RECEPTORS AND USES THEREOF TRPV1, TRPM8, TRPV2 NAMPT 2153/4885MMP13 4253/4885ROCK2 3598/4885
US-11384085-B2 Modulators of ion channel receptors and uses thereof TRPV1, TRPM8, TRPV2 NAMPT 2153/4885MMP13 4253/4885ROCK2 3598/4885

“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.

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