SCHEMBL24006183

SCHEMBL24006183

CC(C)Cc1ccc2ccoc2n1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 9/20 0.38
TSHR P16473 2/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPK1 P28482 1/20 0.32
ELANE P08246 1/20 0.32
DYRK1A Q13627 3/20 0.32
CDK9 P50750 1/20 0.32
PDE10A Q9Y233 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 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
SCHEMBL18238517 0.79 DYRK1A (0.34) HTR1BDYRK1ACDK9
SCHEMBL18937623 0.74 DYRK1A (0.32) DYRK1ACDK9
SCHEMBL23959345 0.73 PDE10A (0.33) TSHRNOS3NOS1NOS2KDM4E
SCHEMBL21094539 0.71 HTR1B (0.30) HTR1B
SCHEMBL18199915 0.71 CCR1 (0.50) TSHRNOS3NOS1NOS2KDM4E
SCHEMBL16471464 0.71 HTR1B (0.34) HTR1B
SCHEMBL11073058 0.70 HTR1B (0.42) HTR1BTSHRNOS3NOS1NOS2
SCHEMBL12526773 0.67 CCR1 (0.44) NOS1NOS2KDM4EDYRK1A
SCHEMBL27425951 0.67 HTR1B (0.39) HTR1BKDM4EPDE10A
SCHEMBL13034824 0.67 HTR1B (0.71) HTR1BKDM4EHSD17B10HTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230277534-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2023-09-07 US disclosed
US-20210346405-A1 BCL-2 INHIBITORS AND THEIR USE AS PHARMACEUTICALS PRELUDE THERAPEUTICS INCORPORATED 2021-11-11 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 (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-20210346405-A1 BCL-2 INHIBITORS AND THEIR USE AS PHARMACEUTICALS BCL2, BCL2L2, BCL2L1 HTR1B 3098/4885TSHR 3869/4885NOS3 3978/4885
US-20230277534-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, PRKACA, MAP3K13 HTR1B 3700/4885TSHR 3588/4885NOS3 3815/4885

“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.