SCHEMBL23768705

SCHEMBL23768705

CC(C)N1CCn2cnnc2C1=O

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 3/20 0.36
RET P07949 1/20 0.32
CDK2 P24941 1/20 0.32
ITK Q08881 1/20 0.32
MERTK Q12866 1/20 0.32
PRKAA1 Q13131 1/20 0.32
ROCK1 Q13464 1/20 0.32
GRM5 P41594 2/20 0.32
CNR1 P21554 1/20 0.31
PDPK1 O15530 1/20 0.31
ACVRL1 P37023 1/20 0.30
ACVR1 Q04771 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
SCHEMBL16027504 0.77 PDPK1 (0.33) MAP3K5PDPK1
SCHEMBL24810210 0.72 GRM5 (0.33) GRM5ACVRL1ACVR1
SCHEMBL22017463 0.70 ALDH1A1 (0.37) GRM5
SCHEMBL21324013 0.69 GRM5 (0.32) GRM5ACVRL1ACVR1
SCHEMBL18796294 0.67 HRH3 (0.33)
SCHEMBL20940198 0.67 ACHE (0.35) GRM5CNR1
SCHEMBL20939184 0.64 MAP3K14 (0.33) GRM5
SCHEMBL20939379 0.62 HRH3 (0.34) GRM5
SCHEMBL16094212 0.62 ALDH1A1 (0.43) MAP3K5PDPK1
SCHEMBL12890580 0.61 PIK3CD (0.35) GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210254006-A1 METHODS OF CULTURING AND/OR EXPANDING STEM CELLS AND/OR LINEAGE COMMITTED PROGENITOR CELLS USING LACTAM COMPOUNDS IDEAYA BIOSCIENCES, INC. 2021-08-19 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-20210254006-A1 METHODS OF CULTURING AND/OR EXPANDING STEM CELLS AND/OR LINEAGE COMMITTED PROGENITOR CELLS USING LACTAM COMPOUNDS AHR, MCL1, HES1 MAP3K5 3960/4885RET 970/4885CDK2 273/4885

“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.