SCHEMBL20152043

SCHEMBL20152043

CC1(NC(=O)OC(C)(C)C)CCN(C(C)(C)C)CC1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.36
DRD2 P14416 5/20 0.35
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
RET P07949 5/20 0.35
CTSK P43235 2/20 0.33
MMP9 P14780 1/20 0.33
MMP13 P45452 1/20 0.33
HCRTR2 O43614 1/20 0.33
GAA P10253 1/20 0.33
EPHX2 P34913 1/20 0.33

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
SCHEMBL12440624 0.85 RORC (0.37) RORCDRD2MEN1MAPK1KMT2A
SCHEMBL2087734 0.84 RORC (0.43) RORCMEN1MAPK1KMT2ACTSK
SCHEMBL14805858 0.83 MEN1 (0.36) RORCDRD2MEN1MAPK1KMT2A
SCHEMBL1994522 0.82 USP2 (0.47) EPHX2
SCHEMBL20975988 0.82 DRD2 (0.40) RORCDRD2MEN1MAPK1KMT2A
SCHEMBL21410530 0.82 RORC (0.38) RORCDRD2MEN1MAPK1KMT2A
SCHEMBL16887631 0.82 CYP4F2 (0.40) RORCMEN1MAPK1KMT2ARET
SCHEMBL20328214 0.81 DRD2 (0.39) RORCDRD2MEN1KMT2ARET
SCHEMBL25985026 0.81 RORC (0.35) RORCDRD2MEN1MAPK1KMT2A
SCHEMBL18705060 0.81 HRH3 (0.40) RORCMEN1MAPK1KMT2ARET

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
CN-111410662-B Tyrosine kinase inhibitor 苏州信诺维医药科技有限公司 2020-12-29 CN disclosed
CN-111410662-A Tyrosine kinase inhibitor 苏州信诺维医药科技有限公司 2020-07-14 CN disclosed
US-20180134703-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2018-05-17 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 (1 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-20180134703-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, RAF1 RORC 440/4885DRD2 3425/4885MEN1 653/4885

“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.