SCHEMBL24345322

SCHEMBL24345322

Cc1ccc2c(c1)cc(N)n2C(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.42
HTR2C P28335 2/20 0.42
CYP2A6 P11509 3/20 0.38
CYP1A2 P05177 2/20 0.38
DHFR P00374 1/20 0.37
SLC2A1 P11166 1/20 0.37
MAPT P10636 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
NR1I2 O75469 1/20 0.36
EGFR P00533 1/20 0.36
ADRA2A P08913 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
TBXA2R P21731 1/20 0.36
PTGS2 P35354 1/20 0.36
OPRD1 P41143 1/20 0.36
PDE4D Q08499 1/20 0.36
ROCK1 Q13464 1/20 0.36
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
NCK1 P16333 1/20 0.35

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
SCHEMBL26597375 0.77 RPS6KB1 (0.39) MAPTROCK1ALDH1A1KDM4ELMNA
SCHEMBL12182 0.75 RXFP1 (0.53) HTR2AHTR2CCYP2A6CYP1A2MAPT
SCHEMBL21244768 0.73 NR1I2 (0.48) HTR2AHTR2CCYP2A6NR1I2EGFR
SCHEMBL21907072 0.73 HTR2A (0.39) HTR2AHTR2CCYP2A6CYP1A2DHFR
SCHEMBL26605074 0.71 USP2 (0.43) HTR2AHTR2CCYP1A2DHFRSLC2A1
SCHEMBL13338392 0.70 MEN1 (0.45) HTR2AHTR2CCYP2A6CYP1A2DHFR
SCHEMBL22005105 0.69 ACLY (0.46) HTR2AHTR2CCYP2A6CYP1A2MAPT
SCHEMBL27702087 0.69 HTR2A (0.42) HTR2AHTR2CCYP1A2DHFRSLC2A1
SCHEMBL1082617 0.68 HTR2A (0.35) HTR2AHTR2CMAPTRXFP1NR1I2
SCHEMBL15345130 0.67 HSD17B10 (0.42) CYP1A2DHFRSLC2A1NR1I2EGFR

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-20220112214-A1 FUSED HETEROCYCLIC COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2022-04-14 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-20220112214-A1 FUSED HETEROCYCLIC COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, FRK HTR2A 2162/4885HTR2C 1908/4885CYP2A6 4106/4885

“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.