SCHEMBL21671409

SCHEMBL21671409

CCc1cc(C(C)(C)C(F)(F)F)no1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
RET P07949 1/20 0.30
KDR P35968 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
SCHEMBL9892806 0.82 KDM4E (0.37) THRBSMN1; SMN2
SCHEMBL8388696 0.80 ALDH1A1 (0.40) THRBSMN1; SMN2RETKDR
SCHEMBL13262109 0.77 THRB (0.35) THRBSMN1; SMN2RET
SCHEMBL13890431 0.77 MAPK14 (0.37) THRBSMN1; SMN2
SCHEMBL24033650 0.75
SCHEMBL18676475 0.75 RET (0.31) RETKDR
SCHEMBL12650244 0.75 TRPM8 (0.35) SMN1; SMN2
SCHEMBL9892807 0.74 CNR2 (0.37) THRBSMN1; SMN2RET
SCHEMBL1083433 0.73 KDM4E (0.31)
SCHEMBL23966692 0.73 MEN1 (0.42) SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210163464-A1 PYRIDINE COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2021-06-03 US disclosed
US-10851092-B2 Pyridine compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2020-12-01 US disclosed
US-20200039974-A1 PYRIDINE COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2020-02-06 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 (3 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-20200039974-A1 PYRIDINE COMPOUND RET, ROS1, ABL1 THRB 1317/4885SMN1; SMN2 1797/4885RET 1/4885
US-20210163464-A1 PYRIDINE COMPOUND RET, ABL1, ROS1 THRB 1335/4885SMN1; SMN2 1897/4885RET 1/4885
US-10851092-B2 Pyridine compound RET, ROS1, ABL1 THRB 1317/4885SMN1; SMN2 1797/4885RET 1/4885

“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.