SCHEMBL8739611

SCHEMBL8739611

O=C(NCCN1CCOCC1)c1n[nH]c2cc(-c3ccc(NC(=O)C4Cc5ccccc5S4)cc3)ccc12

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 7/20 0.52
WNT1 P04628 6/20 0.52
CHEK1 O14757 1/20 0.42
LMNA P02545 1/20 0.42
KMT2A Q03164 1/20 0.42
CD274 Q9NZQ7 2/20 0.41
HPGD P15428 1/20 0.41
MMP12 P39900 1/20 0.41
EPHX2 P34913 1/20 0.41
MAPT P10636 2/20 0.41
MAPK8 P45983 1/20 0.41
MAPK10 P53779 1/20 0.41
MAPK14 Q16539 1/20 0.41
GSK3B P49841 2/20 0.40
FLT3 P36888 1/20 0.40
KCNH2 Q12809 1/20 0.40
HTR1A P08908 1/20 0.40
DRD2 P14416 1/20 0.40
HTR2A P28223 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
SCHEMBL3386642 0.79 WNT1 (0.54) DYRK1AWNT1LMNAKMT2ACD274
SCHEMBL3384031 0.77 DYRK1A (0.54) DYRK1AWNT1CHEK1KMT2ACD274
SCHEMBL3383191 0.77 WNT1 (0.55) DYRK1AWNT1LMNAKMT2AEPHX2
SCHEMBL3387486 0.76 DYRK1A (0.54) DYRK1AWNT1CHEK1CD274MAPT
SCHEMBL3384270 0.76 EPHX2 (0.56) DYRK1AWNT1LMNACD274EPHX2
Hydrochloric Acid SCHEMBL3386776 0.75 DYRK1A (0.53) DYRK1AWNT1CHEK1CD274MAPT
SCHEMBL7389168 0.73 WNT1 (0.67) DYRK1AWNT1KMT2AHTR1ADRD2
SCHEMBL3387639 0.71 BRAF (0.59) DYRK1AWNT1LMNAEPHX2MAPK14
SCHEMBL3386350 0.71 DYRK1A (0.55) DYRK1AWNT1EPHX2MAPK8MAPK10
SCHEMBL3382973 0.70 BRAF (0.61) DYRK1AWNT1EPHX2MAPK8MAPK10

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-20120130069-A1 NOVEL INDAZOLE DERIVATIVES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS PROTEIN KINASE INHIBITORS FOR PROLIFERATIVE DISEASES TREATMENT, AND A PHARMACEUTICAL COMPOSITION CONTAINING THE SAME AS AN ACTIVE INGREDIENT KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2012-05-24 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-20120130069-A1 NOVEL INDAZOLE DERIVATIVES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS PROTEIN KINASE INHIBITORS FOR PROLIFERATIVE DISEASES TREATMENT, AND A PHARMACEUTICAL COMPOSITION CONTAINING THE SAME AS AN ACTIVE INGREDIENT RAF1, RET, KDR DYRK1A 201/4885WNT1 1160/4885CHEK1 389/4885

“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.