SCHEMBL21025786

SCHEMBL21025786

CN(C)CCCn1cnc2ccc(C(C)(C)C)cc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 3/20 0.43
MAP3K20 Q9NYL2 1/20 0.43
LMNA P02545 3/20 0.40
PRPS1 P60891 1/20 0.40
KCNH2 Q12809 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 2/20 0.38
HSD17B10 Q99714 1/20 0.38
CDK9 P50750 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
TP53 P04637 1/20 0.37
HTT P42858 1/20 0.37
HTR6 P50406 1/20 0.37
ATM Q13315 1/20 0.35
EGFR P00533 2/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35

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
SCHEMBL21025781 0.92 HTR6 (0.42) TGFBR1MAP3K20LMNAPRPS1KCNH2
SCHEMBL21026260 0.89 MAPT (0.48) TGFBR1MAP3K20LMNAKCNH2KDM4E
SCHEMBL4741735 0.88 PRPS1 (0.52) TGFBR1MAP3K20LMNAPRPS1KCNH2
SCHEMBL21026235 0.86 TGFBR1 (0.36) TGFBR1MAP3K20LMNAPRPS1KCNH2
SCHEMBL18731437 0.82 LMNA (0.47) TGFBR1MAP3K20LMNAKDM4EMAPT
SCHEMBL15829318 0.81 MAPT (0.43) TGFBR1LMNAKDM4EMAPTHSD17B10
SCHEMBL18731877 0.81 EGFR (0.48) TGFBR1MAP3K20LMNAMAPTHSD17B10
SCHEMBL23479575 0.80 TDP1 (0.49) LMNAPRPS1MAPTHSD17B10TDP1
SCHEMBL21026262 0.79 KDM4E (0.50) TGFBR1MAP3K20PRPS1KDM4ESMN1; SMN2
SCHEMBL10025500 0.78 FGFR1 (0.54) TGFBR1MAP3K20LMNAKDM4EMAPT

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-20190151312-A1 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. 2019-05-23 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-20190151312-A1 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES HPSE, GAA, MAN2B1 TGFBR1 2067/4885MAP3K20 2197/4885LMNA 2070/4885

“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.