SCHEMBL20148688

SCHEMBL20148688

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

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RET P07949 2/20 0.44
MGLL Q99685 1/20 0.44
PREP P48147 1/20 0.40
PPARD Q03181 1/20 0.40
KDM1A O60341 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
NR1H2 P55055 12/20 0.38
NR1H3 Q13133 11/20 0.38
PDE9A O76083 1/20 0.36
PDE1C Q14123 1/20 0.36

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
SCHEMBL20148674 0.90 RET (0.42) RETMGLLPREP
SCHEMBL22811902 0.87 PREP (0.43) RETMGLLPREPPPARDKDM1A
SCHEMBL20148645 0.84 RET (0.42) RETMGLL
SCHEMBL20070775 0.84 NR1H2 (0.41) RETMGLLPREPPPARDKDM1A
SCHEMBL20148682 0.83 RET (0.48) RETMGLL
SCHEMBL20148626 0.83 ALDH1A1 (0.45)
SCHEMBL20148620 0.83 RET (0.41) RETNR1H2NR1H3
SCHEMBL20148675 0.82 RET (0.34) RETMGLL
SCHEMBL20154554 0.81 RET (0.40) RETMGLLPREPPPARDKDM1A
SCHEMBL20148671 0.81 RET (0.43) RET

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 4 patents. 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
US-20180133200-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2018-05-17 US disclosed
US-20180134702-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2018-05-17 US disclosed
US-20180134702-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-20180134702-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF RET 1/4885MGLL 4881/4885PREP 3094/4885
US-20180133200-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF RET 1/4885MGLL 4881/4885PREP 3094/4885

“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.