SCHEMBL25780901

SCHEMBL25780901

CC(C)(C)Cc1ccc2c(c1)NCN2

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.41
HTR1A P08908 1/20 0.36
DRD2 P14416 1/20 0.36
DRD1 P21728 1/20 0.36
ADRA1D P25100 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
HTR3A P46098 1/20 0.36
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
HDAC1 Q13547 1/20 0.32

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
SCHEMBL23519530 0.78 HTR1A (0.43) HTR1ADRD2DRD1ADRA1DHTR2A
SCHEMBL10285459 0.78 PARP1 (0.42) HTR1ADRD2DRD1ADRA1DHTR2A
SCHEMBL17195712 0.74 HTR1A (0.38) HTR1ADRD2DRD1ADRA1DHTR2A
SCHEMBL21249903 0.73 DRD2 (0.49) ESR1DRD2THRB
SCHEMBL25780903 0.73 SMN1; SMN2 (0.43) ESR1DRD2HDAC1
SCHEMBL22356713 0.72 ESR1 (0.36) ESR1
SCHEMBL20672035 0.70 PPARG (0.42) ESR1THRB
SCHEMBL20801800 0.70 ESR1 (0.35) ESR1THRATHRB
SCHEMBL13814905 0.70 MAPT (0.50) ESR1DRD2THRB
SCHEMBL5714129 0.70 ESR1 (0.35) ESR1

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-20230212170-A1 INHIBITORS OF KRAS G12C PROTEIN AND USES THEREOF ANTENGENE DISCOVERY LIMITED (CN) 2023-07-06 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-20230212170-A1 INHIBITORS OF KRAS G12C PROTEIN AND USES THEREOF KRAS, NRAS, HRAS ESR1 2875/4885HTR1A 4841/4885DRD2 4727/4885

“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.