SCHEMBL20158548

SCHEMBL20158548

COc1ccc(C(=O)NC2(C)CCN(C(C)S)CC2)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 2/20 0.44
RET P07949 1/20 0.42
GABRA5 P31644 2/20 0.42
NNMT P40261 1/20 0.42
CD274 Q9NZQ7 1/20 0.39
GABRA1 P14867 2/20 0.39
MCHR1 Q99705 1/20 0.39
DGAT2 Q96PD7 1/20 0.38
GPR183 P32249 2/20 0.38
TEC P42680 1/20 0.38
TXK P42681 1/20 0.38
BTK Q06187 1/20 0.38
ITK Q08881 1/20 0.38
PTPN1 P18031 1/20 0.37
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
NAMPT P43490 1/20 0.36
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
CTSS P25774 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
SCHEMBL20147605 0.91 EGLN1 (0.45) EGLN1RETGABRA5NNMTCD274
SCHEMBL20206018 0.86 EGLN1 (0.46) EGLN1RETGABRA5NNMTCD274
SCHEMBL20069658 0.85 EGLN1 (0.47) EGLN1RETGABRA5NNMTCD274
SCHEMBL20148063 0.78 MCHR1 (0.41) EGLN1RETMCHR1
SCHEMBL20158441 0.77 BDKRB1 (0.39) MCHR1
SCHEMBL20205761 0.76 KMT2A (0.46) RET
SCHEMBL20147651 0.75 HDAC1 (0.48) EGLN1RETGABRA5GABRA1
SCHEMBL20148012 0.75 RET (0.41) EGLN1RETMCHR1NAMPT
SCHEMBL20158859 0.72 MCHR1 (0.39) RETMCHR1
SCHEMBL20205828 0.72 MCHR1 (0.44) RETMCHR1

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-20180134703-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-20180134703-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, RAF1 EGLN1 2633/4885RET 1/4885GABRA5 2425/4885

“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.