SCHEMBL21026136

SCHEMBL21026136

CN(C)CCn1cc2ccc(Br)cc2n1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 3/20 0.38
IRAK1 P51617 1/20 0.38
KCNH2 Q12809 1/20 0.38
EGFR P00533 6/20 0.35
TAAR1 Q96RJ0 2/20 0.35
KDM4E B2RXH2 1/20 0.35
NSD2 O96028 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
BACE1 P56817 2/20 0.34
CNR2 P34972 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTT P42858 1/20 0.33
FLT3 P36888 1/20 0.33

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
SCHEMBL29968984 0.91 EGFR (0.37) EGFRTAAR1KDM4ENSD2ALDH1A1
SCHEMBL21411441 0.88 IRAK4 (0.38) IRAK4IRAK1KCNH2EGFRTAAR1
SCHEMBL17678348 0.83 IRAK4 (0.39) IRAK4IRAK1KCNH2KDM4ENSD2
SCHEMBL5861309 0.82 KDM4E (0.57) IRAK4IRAK1KCNH2EGFRKDM4E
SCHEMBL26024454 0.80 TLR8 (0.41) KDM4ENSD2ALDH1A1MAPTBACE1
SCHEMBL21026068 0.79 IRAK4 (0.41) IRAK4IRAK1KCNH2KDM4ENSD2
SCHEMBL25153641 0.79 NOTUM (0.41) KDM4ENSD2ALDH1A1MAPTBACE1
SCHEMBL28265957 0.78 HTR2A (0.44) IRAK4IRAK1KCNH2ALDH1A1CNR2
SCHEMBL30622509 0.77 KDM5A (0.46) IRAK4IRAK1KCNH2ALDH1A1CYP1A2
SCHEMBL5860929 0.76 MAPT (0.62) IRAK4IRAK1KCNH2KDM4EALDH1A1

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 IRAK4 3515/4885IRAK1 2590/4885KCNH2 4772/4885

“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.