SCHEMBL20154554

SCHEMBL20154554

CC(S)N1CC2CC(C1)N2Cc1ccc(C(F)(F)F)nc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.40
MGLL Q99685 1/20 0.40
NR1H2 P55055 11/20 0.40
NR1H3 Q13133 10/20 0.40
MDM2 Q00987 1/20 0.37
KDM1A O60341 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
PREP P48147 1/20 0.36
PPARD Q03181 1/20 0.36
PDE9A O76083 1/20 0.35
PDE1C Q14123 1/20 0.35
TRPV4 Q9HBA0 1/20 0.35

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
SCHEMBL20070775 0.90 NR1H2 (0.41) RETMGLLNR1H2NR1H3KDM1A
SCHEMBL21158871 0.84 CYP11B1 (0.38) RET
SCHEMBL22811902 0.84 PREP (0.43) RETMGLLNR1H2NR1H3KDM1A
SCHEMBL20148688 0.81 RET (0.44) RETMGLLNR1H2NR1H3KDM1A
SCHEMBL20149618 0.79 RET (0.41) RETMGLLNR1H2NR1H3
SCHEMBL20153167 0.76 ALDH1A1 (0.45) RET
SCHEMBL20149608 0.74 RET (0.46) RET
SCHEMBL20070797 0.74 RET (0.44) RETMGLL
SCHEMBL20070424 0.74 CYP11B1 (0.40) RET
SCHEMBL22812257 0.72 RET (0.43) RETMGLLPREP

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-10172851-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors ARRAY BIOPHARMA INC. (US) 2019-01-08 US disclosed
US-20180133213-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 (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-10172851-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors RET, ROR1, BRAF RET 1/4885MGLL 4881/4885NR1H2 2951/4885
US-20180133213-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF RET 1/4885MGLL 4881/4885NR1H2 2951/4885

“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.