SCHEMBL20158860

SCHEMBL20158860

Cc1c(Cl)cccc1C(=O)NC1(C)CCN(C(C)S)CC1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.43
TAS1R1 Q7RTX1 2/20 0.43
TAS1R2 Q8TE23 2/20 0.43
P2RX7 Q99572 10/20 0.41
RET P07949 1/20 0.39
MT-CO2 P00403 1/20 0.38
F9 P00740 1/20 0.37
CCR8 P51685 1/20 0.37
UTS2R Q9UKP6 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
SCHEMBL20147578 0.91 MT-CO2 (0.46) TAS1R3TAS1R1TAS1R2P2RX7RET
SCHEMBL20147943 0.82 TAS1R3 (0.41) TAS1R3TAS1R1TAS1R2RETMT-CO2
SCHEMBL20205892 0.81 MT-CO2 (0.46) TAS1R3TAS1R1TAS1R2P2RX7RET
SCHEMBL20147551 0.79 P2RX7 (0.47) P2RX7MT-CO2F9
SCHEMBL20206058 0.78 BCAT2 (0.45) P2RX7RET
SCHEMBL20158552 0.77 RET (0.42) P2RX7RET
SCHEMBL20147562 0.76 RET (0.41) TAS1R3TAS1R1TAS1R2P2RX7RET
SCHEMBL20069745 0.75 P2RX7 (0.46) P2RX7F9
SCHEMBL20147570 0.74 HCN1 (0.47) P2RX7RET
SCHEMBL20069756 0.74 P2RX7 (0.47) P2RX7RETCCR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10172845-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors ARRAY BIOPHARMA INC. (US) 2019-01-08 US disclosed
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 (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-10172845-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors RET, BRAF, RAF1 TAS1R3 1218/4885TAS1R1 1405/4885TAS1R2 2051/4885
US-20180134703-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, RAF1 TAS1R3 1218/4885TAS1R1 1405/4885TAS1R2 2051/4885

“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.