SCHEMBL21159005

SCHEMBL21159005

CCSC(C)N1CC2CC(C1)N2C(=O)c1cnccc1C

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 1/20 0.39
RET P07949 1/20 0.38
SIRT3 Q9NTG7 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
SOST Q9BQB4 1/20 0.35
NAMPT P43490 2/20 0.33
CYP11B2 P19099 5/20 0.33
CYP11B1 P15538 4/20 0.33
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
TYK2 P29597 1/20 0.31
PIK3CD O00329 3/20 0.31
CHRM1 P11229 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
SCHEMBL20148710 0.85 SIRT3 (0.43) SMYD3RETSIRT3TDP1SOST
SCHEMBL20069582 0.79 SIRT3 (0.46) SMYD3RETSIRT3TDP1SOST
SCHEMBL23555223 0.67 MAPT (0.32) RETJAK2JAK1TYK2
SCHEMBL21159143 0.66 RET (0.31) RET
SCHEMBL20160370 0.65 RET (0.32) RET
SCHEMBL20148706 0.65 PIK3CD (0.54) TDP1PIK3CD
SCHEMBL20148712 0.64 P2RX7 (0.40) RETTDP1
SCHEMBL23555022 0.63 PIK3CD (0.52) TDP1PIK3CD
SCHEMBL3100795 0.61 TDP1 (0.68) SMYD3SIRT3TDP1TYK2
SCHEMBL29496054 0.61 TDP1 (0.68) SMYD3SIRT3TDP1TYK2

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-10555944-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors ELI LILLY AND COMPANY (US) 2020-02-11 US disclosed
US-20190183886-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2019-06-20 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-10555944-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors RET, ROR1, BRAF SMYD3 1818/4885RET 1/4885SIRT3 4404/4885
US-20190183886-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF SMYD3 1818/4885RET 1/4885SIRT3 4404/4885

“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.