SCHEMBL20205895

SCHEMBL20205895

CSN1CCC(C)(NC(=O)c2cncnc2)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 4/20 0.36
VNN1 O95497 5/20 0.34
CNR2 P34972 1/20 0.34
MCHR1 Q99705 1/20 0.33
CCR1 P32246 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
SMYD3 Q9H7B4 1/20 0.33
HDAC3 O15379 2/20 0.33
HDAC1 Q13547 2/20 0.33
HDAC2 Q92769 2/20 0.33
HDAC6 Q9UBN7 2/20 0.33
HCAR2 Q8TDS4 1/20 0.33
HDAC4 P56524 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
ABL1 P00519 2/20 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
SCHEMBL20069112 0.84 BDKRB1 (0.38) BDKRB1VNN1CNR2MCHR1CCR1
SCHEMBL186482 0.83 BDKRB1 (0.42) BDKRB1VNN1CNR2EGLN1HDAC3
SCHEMBL20147619 0.81 BDKRB1 (0.41) BDKRB1VNN1CNR2MCHR1CCR1
SCHEMBL20158441 0.78 BDKRB1 (0.39) BDKRB1VNN1CNR2MCHR1CCR1
SCHEMBL2787773 0.72 VNN1 (0.41) BDKRB1VNN1HCAR2ABL1
SCHEMBL185748 0.72 VNN1 (0.41) BDKRB1VNN1HCAR2ABL1
SCHEMBL2785997 0.72 BDKRB1 (0.39) BDKRB1VNN1HDAC3HDAC1HDAC2
SCHEMBL21651935 0.71 RET (0.43)
SCHEMBL20626719 0.70 RET (0.48)
SCHEMBL20147989 0.70 P2RX7 (0.48)

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-20180148445-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2018-05-31 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-20180148445-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, RAF1 BDKRB1 685/4885VNN1 4617/4885CNR2 4423/4885

“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.