SCHEMBL20153203

SCHEMBL20153203

CCC(C)N1CCC2(CCCN(C(C)C)C2)C1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RET P07949 2/20 0.34
CYP2D6 P10635 8/20 0.33
TSHR P16473 6/20 0.33
CYP1A2 P05177 6/20 0.33
CYP3A4 P08684 6/20 0.33
CYP2C19 P33261 5/20 0.33
HRH3 Q9Y5N1 1/20 0.33
USP2 O75604 5/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP2C9 P11712 5/20 0.32
HIF1A Q16665 1/20 0.32
MAPK1 P28482 2/20 0.31
ALDH1A1 P00352 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
SCHEMBL10111450 0.87 CYP2D6 (0.39) CYP2D6TSHRCYP1A2CYP3A4CYP2C19
SCHEMBL24688706 0.85 CYP3A4 (0.35) CYP2D6TSHRCYP1A2CYP3A4CYP2C19
SCHEMBL19083175 0.85 CYP2D6 (0.32) CYP2D6
SCHEMBL25124519 0.85 CYP2D6 (0.31) CYP2D6TSHRCYP1A2CYP3A4CYP2C19
SCHEMBL14524120 0.83 HRH3 (0.36) RETCYP2D6TSHRCYP1A2CYP3A4
SCHEMBL27283006 0.81
SCHEMBL10111444 0.81 CYP2D6 (0.39) CYP2D6TSHRCYP1A2CYP3A4CYP2C19
SCHEMBL19501245 0.81
SCHEMBL27281797 0.81
SCHEMBL20070818 0.79 TSHR (0.40) CYP2D6TSHRCYP1A2CYP3A4CYP2C19

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-20180133200-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2018-05-17 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-20180133200-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF RET 1/4885CYP2D6 3706/4885TSHR 1461/4885

“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.