SCHEMBL20148692

SCHEMBL20148692

CC(C)(C)N1CC2CC(C1)N2Cc1nc(C2CC2)cs1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.42
TMIGD3 P0DMS9 1/20 0.36
ADORA1 P30542 1/20 0.36
CCR2 P41597 1/20 0.35
SCN1A P35498 2/20 0.34
SCN8A Q9UQD0 2/20 0.34
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
NFKB1 P19838 1/20 0.32
FPR1 P21462 1/20 0.32
RAB9A P51151 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL20070791 0.85 RET (0.40) RETTMIGD3ADORA1SCN1ASCN8A
SCHEMBL20148668 0.81 RET (0.41) RET
SCHEMBL20148669 0.80 RET (0.42) RETSCN1ASCN8A
SCHEMBL20148660 0.80 RET (0.42) RETSCN1ASCN8AALDH1A1RAB9A
SCHEMBL22812208 0.79 RET (0.39) RETSCN1ASCN8A
SCHEMBL20148685 0.68 RET (0.39) RET
SCHEMBL20148695 0.68 RET (0.40) RETSCN8A
SCHEMBL22904608 0.67 MAPT (0.42) TMIGD3ADORA1NPC1ALDH1A1TP53
SCHEMBL20148621 0.67 RET (0.38) RET
SCHEMBL20148622 0.67 RET (0.40) RETSCN8A

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-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

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 1/4885TMIGD3 3772/4885ADORA1 1732/4885
US-20180133200-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF RET 1/4885TMIGD3 3772/4885ADORA1 1732/4885

“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.