SCHEMBL23075813

SCHEMBL23075813

CC(C)(C)CNCc1ccc(F)cc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.59
CYP2D6 P10635 2/20 0.59
CYP2C9 P11712 2/20 0.59
CYP2C19 P33261 2/20 0.59
LMNA P02545 4/20 0.59
KMT2A Q03164 3/20 0.56
HTT P42858 2/20 0.56
CHRM2 P08172 1/20 0.52
HPGD P15428 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
ALDH1A1 P00352 2/20 0.50
MEN1 O00255 2/20 0.50
POLB P06746 1/20 0.50
PLA2G1B P04054 1/20 0.44
ATG4B Q9Y4P1 1/20 0.44
DPP7 Q9UHL4 2/20 0.43
MAPK1 P28482 1/20 0.42

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
SCHEMBL13868420 0.84 CYP3A4 (0.56) CYP3A4CYP2D6CYP2C9CYP2C19LMNA
SCHEMBL22039743 0.81 CYP3A4 (0.61) CYP3A4CYP2D6CYP2C9CYP2C19LMNA
SCHEMBL24419593 0.81 ESR1 (0.50) CYP3A4CYP2D6CYP2C9CYP2C19LMNA
SCHEMBL13965851 0.80 CHRM2 (0.58) CYP3A4CYP2D6CYP2C9CYP2C19LMNA
SCHEMBL1796909 0.79 LMNA (0.77) CYP3A4CYP2D6CYP2C9CYP2C19LMNA
SCHEMBL184001 0.79 LMNA (0.77) CYP3A4CYP2D6CYP2C9CYP2C19LMNA
Hydrochloric Acid SCHEMBL5378426 0.79 CYP3A4 (0.59) CYP3A4CYP2D6CYP2C9CYP2C19LMNA
SCHEMBL21799683 0.79 TPSAB1 (0.42) CYP3A4CYP2D6CYP2C9CYP2C19LMNA
SCHEMBL5461543 0.78 MEN1 (0.56) CYP3A4KMT2ACHRM2MEN1
SCHEMBL4029852 0.78 LMNA (0.62) CYP3A4CYP2D6CYP2C9CYP2C19LMNA

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-20210070743-A1 RIP1 INHIBITORY COMPOUNDS AND METHODS FOR MAKING AND USING THE SAME RIGEL PHARMACEUTICALS, INC. (US) 2021-03-11 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-20210070743-A1 RIP1 INHIBITORY COMPOUNDS AND METHODS FOR MAKING AND USING THE SAME RIPK1, RIPK2, RIPK3 CYP3A4 4866/4885CYP2D6 4874/4885CYP2C9 4879/4885

“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.