SCHEMBL5700599

SCHEMBL5700599

CN(C)c1cnccc1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 1/20 0.41
CHKA P35790 1/20 0.41
CHUK O15111 1/20 0.36
SMN1; SMN2 Q16637 4/20 0.35
MAPT P10636 2/20 0.35
AXL P30530 1/20 0.35
CCNT1 O60563 1/20 0.33
PIM1 P11309 1/20 0.33
CDK9 P50750 1/20 0.33
HASPIN Q8TF76 1/20 0.33
LATS1 O95835 1/20 0.33
LATS2 Q9NRM7 1/20 0.33
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 2/20 0.33
SLC6A2 P23975 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 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
SCHEMBL5254399 0.82 CHRM5 (0.41) CHRM5CHKACHUKSMN1; SMN2MAPT
SCHEMBL27712982 0.80 CHRM5 (0.39) CHRM5CHKACHUKSMN1; SMN2MAPT
SCHEMBL16701005 0.78 CHRM5 (0.46) CHRM5CHKACHUKSMN1; SMN2MAPT
SCHEMBL8128310 0.74 CHRM5 (0.42) CHRM5CHKACHUKSMN1; SMN2MAPT
SCHEMBL23836747 0.73 CHRM5 (0.41) CHRM5CHKACHUKSMN1; SMN2MAPT
SCHEMBL827969 0.73 CHUK (0.42) CHRM5CHKACHUKSMN1; SMN2MAPT
SCHEMBL30231024 0.73 CHRM5 (0.41) CHRM5CHKACHUKSMN1; SMN2MAPT
SCHEMBL21100999 0.73 GAA (0.46) CHRM5CHKACHUKSMN1; SMN2MAPT
SCHEMBL5700192 0.73 CHRM5 (0.41) CHRM5CHKACHUKSMN1; SMN2MAPT
SCHEMBL31415166 0.70 CHRM5 (0.42) CHRM5CHKACHUKSMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1270582-B1 TRIPHENYLPHOSPHINE DERIVATIVES, PALLADIUM OR NICKEL COMPLEXES THEREOF, AND PROCESS FOR PREPARING BIARYL DERIVATIVES MITSUBISHI RAYON CO (JP) 2006-08-30 EP disclosed
US-6693210-B2 USING PALLADIUM, NICKEL PHOSPHINE COMPLEX AS CATALYSTS MITSUBISHI RAYON CO., LTD. (JP) 2004-02-17 US disclosed
US-20030065208-A1 Using palladium, nickel phosphine complex as catalysts MITSUBISHI RAYON CO., LTD. (JP) 2003-04-03 US disclosed
EP-1270582-A1 TRIPHENYLPHOSPHINE DERIVATIVE, PRODUCTION PROCESS THEREFOR, PALLADIUM COMPLEX THEREOF, AND PROCESS FOR PRODUCING BIARYL DERIVATIVE Mitsubishi Rayon Co., Ltd. (JP) 2003-01-02 EP 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-20030065208-A1 Using palladium, nickel phosphine complex as catalysts PDCD1LG2, PIK3CA, PDCD1 CHRM5 4840/4885CHKA 3764/4885CHUK 827/4885

“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.