SCHEMBL20148624

SCHEMBL20148624

CC(C)(C)N1CC2CC(C1)N2Cc1ccccn1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
HRH1 P35367 1/20 0.40
OPRM1 P35372 2/20 0.40
OPRK1 P41145 1/20 0.40
KCNH2 Q12809 1/20 0.40
OPRD1 P41143 1/20 0.39
RET P07949 3/20 0.38
KMT2A Q03164 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
PKM P14618 1/20 0.38
TRPV6 Q9H1D0 1/20 0.38
CASP6 P55212 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
SIRT1 Q96EB6 1/20 0.37

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
SCHEMBL18390924 0.84 KMT2A (0.44) LMNAHRH1OPRM1OPRK1KCNH2
SCHEMBL20148640 0.82 RET (0.36) RET
SCHEMBL20149590 0.80 LMNA (0.41) LMNAOPRM1OPRK1KCNH2OPRD1
SCHEMBL20970844 0.79 CYP2C19 (0.43) LMNAHRH1OPRM1OPRK1KCNH2
SCHEMBL20148616 0.79 RET (0.40) LMNARETKMT2AMEN1ALDH1A1
SCHEMBL20148623 0.78 RET (0.41) KCNH2RETCYP1A2CYP2C19
SCHEMBL20148649 0.78 RET (0.40) RET
SCHEMBL20148634 0.78 RET (0.46) RETALDH1A1L3MBTL1
SCHEMBL20148633 0.77 RET (0.43) KCNH2RETKMT2ACYP1A2CYP2C19
SCHEMBL20148628 0.76 RET (0.43) OPRM1KCNH2RET

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 3 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
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 LMNA 2631/4885HRH1 1153/4885OPRM1 2992/4885
US-20180133200-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF LMNA 2631/4885HRH1 1153/4885OPRM1 2992/4885

“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.