SCHEMBL20160469

SCHEMBL20160469

COc1cncc(C(=O)N2C3CC2CN(C(C)(C)C)C3)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RET P07949 8/20 0.46
TDP1 Q9NUW8 1/20 0.42
MGLL Q99685 2/20 0.41
CHRNB4 P30926 2/20 0.40
CHRNA3 P32297 2/20 0.40
ACKR3 P25106 1/20 0.37
CHRNB2 P17787 2/20 0.37
CHRNA4 P43681 2/20 0.37
KLK7 P49862 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
F2 P00734 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL22030880 0.86 MGLL (0.46) RETTDP1MGLLCHRNB4CHRNA3
SCHEMBL20154557 0.85 RET (0.46) RETTDP1MGLLCHRNB4CHRNA3
SCHEMBL23555256 0.83 RET (0.44) RETTDP1MGLLCHRNB4CHRNA3
SCHEMBL20148713 0.83 RET (0.42) RETTDP1MGLLCHRNB4CHRNA3
SCHEMBL20070526 0.81 MGLL (0.43) RETTDP1MGLLCHRNB4CHRNA3
SCHEMBL20148637 0.72 RET (0.44) RETCHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL20152352 0.72 CPS1 (0.48) RETMAPTKMT2A
SCHEMBL20152357 0.72 RET (0.46) RETMAPTKMT2A
SCHEMBL20160459 0.71 RET (0.48) RETMAPT
SCHEMBL20152354 0.71 KMT2A (0.45) RETMAPTKMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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 1/4885TDP1 1003/4885MGLL 4881/4885

“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.