SCHEMBL20970775

SCHEMBL20970775

CCC(C)N1CCN(C(=O)CC2CCOCC2)CC1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.45
▸ NAMPT P43490 2/20 0.39
▸ TLR9 Q9NR96 1/20 0.37
▸ TLR8 Q9NR97 1/20 0.37
▸ TLR7 Q9NYK1 1/20 0.37
▸ GPR183 P32249 1/20 0.37
▸ HRH3 Q9Y5N1 7/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ AOC3 Q16853 1/20 0.35
▸ TPSAB1 Q15661 1/20 0.35
▸ TPSD1 Q9BZJ3 1/20 0.35
▸ TPSG1 Q9NRR2 1/20 0.35
▸ POLB P06746 1/20 0.34

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
SCHEMBL20328001 0.90 KDM4E (0.50) KDM4ENAMPTGPR183HSD17B10TPSAB1
SCHEMBL18704939 0.87 HRH3 (0.47) NAMPTTLR9TLR8TLR7HRH3
SCHEMBL17540513 0.81 NAMPT (0.42) NAMPTTLR9TLR8TLR7ALOX15
SCHEMBL13779970 0.79 NAMPT (0.45) NAMPTHRH3ALOX15TSHRHSD17B10
SCHEMBL18704942 0.78 HRH3 (0.42) NAMPTHRH3
SCHEMBL22030592 0.78 RET (0.35) —
SCHEMBL18713080 0.78 NAMPT (0.45) KDM4ENAMPTHRH3HSD17B10TPSAB1
SCHEMBL13469911 0.77 NAMPT (0.44) NAMPTTLR9TLR8TLR7ALOX15
SCHEMBL12522667 0.76 NAMPT (0.45) KDM4ENAMPTALOX15TSHRHSD17B10
SCHEMBL20328051 0.76 NAMPT (0.39) NAMPTTLR9TLR8TLR7HRH3

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-20190127375-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2019-05-02 — — 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-20190127375-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF KDM4E 695/4885NAMPT 3149/4885TLR9 3792/4885

“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.

Send feedback