SCHEMBL24026540

SCHEMBL24026540

CC(C)c1cnc(C(C)(C)c2ccccn2)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CHRM2 P08172 2/20 0.35
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
BLM P54132 2/20 0.31
TSHR P16473 2/20 0.31
CYP2D6 P10635 1/20 0.31
SLC22A2 O15244 1/20 0.31
SLC22A1 O15245 1/20 0.31
PGR P06401 1/20 0.31
THRB P10828 1/20 0.31
ADRB3 P13945 1/20 0.31
OPRK1 P41145 1/20 0.31
PMP22 Q01453 1/20 0.31
KCNH2 Q12809 1/20 0.31
PDE3A Q14432 1/20 0.31
SLC47A1 Q96FL8 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
SCHEMBL10356935 0.78 SMN1; SMN2 (0.58) SMN1; SMN2L3MBTL1CHRM2CHRM4CHRM5
SCHEMBL23375202 0.75 KIF11 (0.30)
SCHEMBL1702353 0.73 HMGCR (0.30)
SCHEMBL19121152 0.71 CHRM2 (0.36) SMN1; SMN2L3MBTL1CHRM2AHR
SCHEMBL19121943 0.70 SMN1; SMN2 (0.41) SMN1; SMN2L3MBTL1CHRM2BLMCYP2D6
SCHEMBL21025832 0.70
SCHEMBL25996323 0.70
SCHEMBL20696793 0.70 ALOX5AP (0.31)
SCHEMBL18068056 0.70 CYP3A4 (0.34) TSHRCYP2D6CYP3A4
SCHEMBL13209285 0.69 KDM4E (0.52) SMN1; SMN2L3MBTL1BLMALOX15TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11220508-B2 TYK2 inhibitors and uses thereof NIMBUS LAKSHMI, INC. (US) 2022-01-11 US disclosed
US-11174265-B2 2021-11-16 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-11220508-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 SMN1; SMN2 1145/4885L3MBTL1 914/4885CHRM2 4803/4885
US-11174265-B2 TYK2, JAK2, JAK1 SMN1; SMN2 697/4885L3MBTL1 804/4885CHRM2 4549/4885

“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.