SCHEMBL19601475

SCHEMBL19601475

CC(C)n1ccc(-c2ncccn2)n1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.53
TGFBR1 P36897 7/20 0.36
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34
PDE5A O76074 1/20 0.33
JAK2 O60674 1/20 0.33
TYK2 P29597 1/20 0.33
JMJD6 Q6NYC1 1/20 0.31
MAP3K5 Q99683 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
ABCB1 P08183 1/20 0.31
ABCG2 Q9UNQ0 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30

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
SCHEMBL19608586 0.82 DYRK1A (0.38) DYRK1AJAK2TYK2KMT2A
SCHEMBL12777958 0.81 DYRK1A (0.54) DYRK1AHTTCYP1A2
SCHEMBL29911884 0.81 DYRK1A (0.54) DYRK1AHTTCYP1A2
SCHEMBL22349852 0.76 DYRK1A (0.46) DYRK1ATGFBR1PRMT5WDR77PDE5A
SCHEMBL17812984 0.75 KMT2A (0.54) JMJD6KMT2A
SCHEMBL12777940 0.74 KMT2A (0.59) DYRK1ATGFBR1PRMT5WDR77KMT2A
SCHEMBL14375504 0.73 DYRK1A (0.49) DYRK1APRMT5WDR77KMT2A
SCHEMBL15083784 0.73 DYRK1A (0.43) DYRK1ATGFBR1PRMT5WDR77PDE5A
SCHEMBL14375507 0.73 DYRK1A (0.53) DYRK1ATGFBR1JMJD6CYP1A2
SCHEMBL14375512 0.73 DYRK1A (0.49) DYRK1ATGFBR1

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-20170325459-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-11-16 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-20170325459-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS DDT, BCHE, BAK1 DYRK1A 4348/4885TGFBR1 3721/4885PRMT5 3446/4885

“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.