SCHEMBL20153265

SCHEMBL20153265

CC(C)(S)CCN1CCOCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.50
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
ALDH1A1 P00352 5/20 0.45
KDM4E B2RXH2 2/20 0.45
KEAP1 Q14145 1/20 0.45
SIGMAR1 Q99720 1/20 0.42
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
CYP2D6 P10635 2/20 0.41
CYP1A2 P05177 1/20 0.41
GLA P06280 1/20 0.41
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.40
CYP3A4 P08684 1/20 0.38
RECQL P46063 1/20 0.38
ARG1 P05089 1/20 0.37
ARG2 P78540 1/20 0.37
HPGD P15428 1/20 0.37
DUSP3 P51452 1/20 0.37

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
SCHEMBL126548 0.84 SMN1; SMN2 (0.52) SMN1; SMN2MEN1KMT2AALDH1A1KDM4E
SCHEMBL22017110 0.82 SMN1; SMN2 (0.50) SMN1; SMN2MEN1KMT2AALDH1A1KDM4E
SCHEMBL21964970 0.81 CARM1 (0.41) MEN1KMT2AKDM4ESIGMAR1OPRM1
SCHEMBL27442019 0.80 SMN1; SMN2 (0.49) SMN1; SMN2MEN1KMT2AALDH1A1KDM4E
SCHEMBL21015372 0.80 SMN1; SMN2 (0.49) SMN1; SMN2MEN1KMT2AALDH1A1KDM4E
SCHEMBL13116989 0.80 SMN1; SMN2 (0.49) SMN1; SMN2MEN1KMT2AALDH1A1KDM4E
SCHEMBL1708968 0.79 ALDH1A1 (0.39) SMN1; SMN2MEN1KMT2AALDH1A1KDM4E
SCHEMBL19173962 0.78 SMN1; SMN2 (0.47) SMN1; SMN2MEN1KMT2AALDH1A1KDM4E
SCHEMBL12838847 0.78 SMN1; SMN2 (0.47) SMN1; SMN2MEN1KMT2AALDH1A1KDM4E
SCHEMBL235080 0.77 KDM4E (0.65) SMN1; SMN2ALDH1A1KDM4EKEAP1SIGMAR1

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-20180133200-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 (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-20180133200-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF SMN1; SMN2 833/4885MEN1 680/4885KMT2A 1171/4885

“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.