SCHEMBL951448

SCHEMBL951448

C#Cc1cccc(CNc2cc(-c3nnn[nH]3)ccc2F)c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.40
LRRK2 Q5S007 1/20 0.33
CDC7 O00311 1/20 0.32
ROCK2 O75116 1/20 0.32
MAP4K4 O95819 1/20 0.32
PIM1 P11309 1/20 0.32
CDK2 P24941 1/20 0.32
GSK3B P49841 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
ACP1 P24666 1/20 0.31
VCP P55072 1/20 0.31
MAP3K8 P41279 1/20 0.30
LCK P06239 3/20 0.30
BTK Q06187 3/20 0.30
CLPP Q16740 1/20 0.30
MAPK14 Q16539 2/20 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
SCHEMBL949966 0.79 MC5R (0.36) PTGDR2HDAC1HDAC8HDAC6
SCHEMBL16720117 0.75 HAO1 (0.38) CLK4
SCHEMBL2681706 0.73 PTGDR2 (0.71) PTGDR2
SCHEMBL12481586 0.70 PRMT6 (0.36) PIM1
SCHEMBL952518 0.66 ACLY (0.36) PTGDR2
SCHEMBL12017494 0.66 PRMT6 (0.53)
SCHEMBL18424351 0.66 KEAP1 (0.37) HDAC8HDAC6MAPK14
SCHEMBL12684866 0.65 APP (0.58)
SCHEMBL17335689 0.63 ADH1B (0.44)
SCHEMBL21999822 0.62 HDAC1 (0.56) LRRK2CDC7ROCK2MAP4K4GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2454243-A2 TETRAZOLE DERIVATIVES Merck Serono SA (CH) 2012-05-23 EP disclosed
US-20120115869-A1 TETRAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2012-05-10 US disclosed
US-20120115869-A1 TETRAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2012-05-10 US disclosed
US-20120115869-A1 TETRAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2012-05-10 US disclosed
WO-2011006935-A2 TETRAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2011-01-20 WO disclosed
WO-2011006935-A2 TETRAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2011-01-20 WO 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-20120115869-A1 TETRAZOLE DERIVATIVES TSLP, IL5, CMA1 PTGDR2 548/4885LRRK2 4751/4885CDC7 3634/4885

“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.