SCHEMBL20205896

SCHEMBL20205896

Cc1cnc(Cl)c(C(=O)NC2(C)CCN(S)CC2)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
RET P07949 13/20 0.36
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
SMYD3 Q9H7B4 1/20 0.33
DGAT2 Q96PD7 1/20 0.33
ABL1 P00519 1/20 0.33
GRM5 P41594 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
SCHEMBL20201378 0.86 RET (0.36) PDE4APDE4BPDE4CPDE4DRET
SCHEMBL20068981 0.79 RET (0.42) PDE4APDE4BPDE4CPDE4DRET
SCHEMBL20205975 0.77 RET (0.44) PDE4APDE4BPDE4CPDE4DRET
SCHEMBL20147672 0.76 RET (0.40) PDE4APDE4BPDE4CPDE4DRET
SCHEMBL20068862 0.73 RET (0.46) PDE4APDE4BPDE4CPDE4DRET
SCHEMBL25504179 0.72 RET (0.42) RETABL1GRM5
SCHEMBL20626721 0.70 RET (0.41) RETSMYD3
SCHEMBL25504105 0.69 SMN1; SMN2 (0.44) RET
SCHEMBL20158862 0.69 RET (0.42) PDE4APDE4BPDE4CPDE4DRET
SCHEMBL20068868 0.69 RET (0.45) PDE4APDE4BPDE4CPDE4DRET

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 PDE4A 728/4885PDE4B 715/4885PDE4C 1100/4885

“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.