SCHEMBL20205745

SCHEMBL20205745

CC1(NC(=O)c2ccccn2)CCN(SS)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.44
KDM4E B2RXH2 4/20 0.44
GAA P10253 4/20 0.44
GRM5 P41594 2/20 0.44
FPR2 P25090 1/20 0.44
OPRD1 P41143 1/20 0.42
KCNH2 Q12809 1/20 0.42
ANO1 Q5XXA6 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
RET P07949 2/20 0.41
HTT P42858 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41
KLF5 Q13887 1/20 0.41
ALDH1A1 P00352 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL20069803 0.84 KDM4E (0.48) KMT2AKDM4EGAAGRM5FPR2
SCHEMBL29836003 0.84 GRM5 (0.53) KMT2AKDM4EGAAGRM5FPR2
SCHEMBL20205746 0.83 RET (0.41) GRM5ANO1RET
SCHEMBL20205808 0.82 PABPC1 (0.46) KDM4ERETHTTNPC1RAB9A
SCHEMBL20206019 0.82 RET (0.48) RET
SCHEMBL20206086 0.81 P2RX7 (0.46) KMT2AGRM5FPR2RETSMN1; SMN2
SCHEMBL30043736 0.81 GRM5 (0.57) KMT2AKDM4EGAAGRM5FPR2
SCHEMBL20626718 0.81 KDM4E (0.45) KMT2AKDM4EGAAGRM5FPR2
SCHEMBL21652051 0.81 RAD52 (0.46) KMT2AKDM4EGAAGRM5FPR2
SCHEMBL20147607 0.81 KDM4E (0.47) KMT2AKDM4EGAAGRM5FPR2

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 KMT2A 1112/4885KDM4E 547/4885GAA 3183/4885

“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.