SCHEMBL20158534

SCHEMBL20158534

CCN1CCN(CC2(NC(=O)c3ncccc3Cl)CCN(C(C)S)CC2)CC1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RET P07949 12/20 0.49
P2RX7 Q99572 3/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
ALOX12 P18054 1/20 0.35
HTT P42858 1/20 0.35
ESR2 Q92731 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP2C19 P33261 1/20 0.35
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL20147662 0.92 RET (0.51) RETP2RX7KDM4EALDH1A1MAPT
SCHEMBL20069612 0.87 RET (0.52) RETALDH1A1L3MBTL1
SCHEMBL25504317 0.87 RET (0.52) RETP2RX7
SCHEMBL20147665 0.79 RET (0.53) RETP2RX7
SCHEMBL20147660 0.79 RET (0.52) RETKDM4EMAPTHTTL3MBTL1
SCHEMBL20147620 0.78 RET (0.46) RETP2RX7NPC1RAB9A
SCHEMBL20147655 0.76 RET (0.48) RETP2RX7
SCHEMBL25504315 0.76 RET (0.44) RETP2RX7ALDH1A1
SCHEMBL20147661 0.76 RET (0.52) RETP2RX7
SCHEMBL20069602 0.74 RET (0.55) RET

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 RET 1/4885P2RX7 1456/4885KDM4E 547/4885
US-20180134703-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, RAF1 RET 1/4885P2RX7 1456/4885KDM4E 547/4885

“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.