SCHEMBL9108959

SCHEMBL9108959

CC(C)(C)c1cc(C(N)=O)ns1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.35
AURKA O14965 1/20 0.33
CSF1R P07333 1/20 0.33
RET P07949 1/20 0.33
LTK P29376 1/20 0.33
CSNK1A1 P48729 1/20 0.33
CDK8 P49336 1/20 0.33
CLK2 P49760 1/20 0.33
CDK5 Q00535 1/20 0.33
ACVR1 Q04771 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KMT2A Q03164 2/20 0.32
MAPK1 P28482 1/20 0.32
NNMT P40261 1/20 0.32
SIRT6 Q8N6T7 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
TSHR P16473 1/20 0.31
MC4R P32245 1/20 0.31
ADRA1A P35348 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
SCHEMBL21727210 0.78 BAZ2B (0.39) LMNARETCLK2CDK5CLK4
SCHEMBL23081000 0.78 RAF1 (0.35)
SCHEMBL28210279 0.72 LMNA (0.38) LMNAKMT2ASIRT6ADORA3TSHR
SCHEMBL165055 0.71
SCHEMBL165054 0.71
Hydrochloric Acid SCHEMBL29779528 0.69 SMYD3 (0.52) LMNAKMT2AMAPK1NNMTSIRT6
SCHEMBL29779549 0.69 SMYD3 (0.52) LMNAKMT2AMAPK1NNMTSIRT6
SCHEMBL9108972 0.69 POLB (0.30)
SCHEMBL6123580 0.69 ALDH1A1 (0.33)
SCHEMBL280038 0.66 ALDH1A1 (0.31)

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-20210070748-A1 INHIBITORS OF BRUTONS TYROSINE KINASE PHARMACYCLICS LLC (US) 2021-03-11 US disclosed
US-8629157-B2 Pyrrolidine compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-14 US disclosed
US-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 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-20210070748-A1 INHIBITORS OF BRUTONS TYROSINE KINASE BTK, LYN, LCK LMNA 4022/4885AURKA 786/4885CSF1R 1586/4885
US-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 LMNA 4696/4885AURKA 4425/4885CSF1R 448/4885

“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.