SCHEMBL10112366

SCHEMBL10112366

Cc1ccc(-c2cnn(C)c2)nc1Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
TNF P01375 1/20 0.43
MAPK1 P28482 1/20 0.42
FGFR3 P22607 2/20 0.41
CHEK1 O14757 1/20 0.41
KDR P35968 1/20 0.41
CLK1 P49759 1/20 0.41
CLK2 P49760 1/20 0.41
DYRK1A Q13627 1/20 0.41
HIPK1 Q86Z02 1/20 0.41
DYRK2 Q92630 1/20 0.41
HIPK2 Q9H2X6 1/20 0.41
HIPK3 Q9H422 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
DYRK1B Q9Y463 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
MKNK1 Q9BUB5 2/20 0.40
PIM1 P11309 3/20 0.39
FYN P06241 1/20 0.39

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
SCHEMBL10112365 0.80 MAPT (0.44) MAPTTNFMAPK1FGFR3CHEK1
SCHEMBL3508335 0.75 PIM1 (0.51) MAPTMAPK1FGFR3CHEK1KDR
SCHEMBL10112433 0.73 AXL (0.43) MAPTTNFFGFR3CLK1CLK2
SCHEMBL30625193 0.72 CCR1 (0.52) MAPTMAPK1FGFR3CHEK1KDR
SCHEMBL15747733 0.72 CYP11B1 (0.49) MAPTMAPK1FGFR3CHEK1KDR
SCHEMBL12269967 0.72 CCR1 (0.52) MAPTMAPK1FGFR3CHEK1KDR
SCHEMBL18770687 0.72 CSF1R (0.50) MAPK1FGFR3KDRFGFR1FGFR2
SCHEMBL19663005 0.72 MAPT (0.48) MAPTTNFMAPK1FGFR3CHEK1
SCHEMBL25590389 0.72 NPC1 (0.47) MAPTKDRCLK1CLK2DYRK1A
SCHEMBL16700180 0.71 MKNK1 (0.53) MAPTMAPK1FGFR3CHEK1KDR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8541572-B2 Compounds for the treatment of inflammatory disorders MERCK SHARP & DOHME CORP. (US) 2013-09-24 US disclosed
US-20120010181-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS MERCK SHARP & DOHME CORP. 2012-01-12 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-20120010181-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TNF, ADAMTS1, ADAMTS7 MAPT 744/4885TNF 1/4885MAPK1 1119/4885

“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.