SCHEMBL16267066

SCHEMBL16267066

COc1cc(-c2c(CCC(=O)O)c(C3CCCC3)n3ncnc(N)c23)ccc1Oc1cccc(Cl)c1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 2/20 0.53
TNK2 Q07912 12/20 0.47
MTOR P42345 2/20 0.39
RICTOR Q6R327 2/20 0.39
RPTOR Q8N122 2/20 0.39
MAPKAP1 Q9BPZ7 2/20 0.39
MLST8 Q9BVC4 2/20 0.39
RIPK2 O43353 1/20 0.39
RET P07949 1/20 0.39
NQO2 P16083 1/20 0.39
CSNK2A2 P19784 1/20 0.39
FECH P22830 1/20 0.39
ACVR1B P36896 1/20 0.39
TGFBR1 P36897 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CG P48736 1/20 0.39
MAPK10 P53779 1/20 0.39
PRKDC P78527 1/20 0.39
MAP2K5 Q13163 1/20 0.39
BMPR2 Q13873 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
SCHEMBL123385 0.89 BTK (0.65) BTKTNK2
SCHEMBL170106 0.88 BTK (0.57) BTKTNK2CSNK2A2PIK3CDACVRL1
SCHEMBL123306 0.88 BTK (0.64) BTKTNK2PIK3CDACVRL1
SCHEMBL169925 0.85 BTK (0.50) BTKTNK2CSNK2A2ACVRL1
SCHEMBL124143 0.84 BTK (0.53) BTKTNK2ACVRL1
SCHEMBL124142 0.84 BTK (0.53) BTKTNK2ACVRL1
SCHEMBL176919 0.80 BTK (0.66) BTKTNK2PIK3CDACVRL1
SCHEMBL122059 0.79 BTK (0.83) BTKTNK2RIPK2RETMAP2K5
SCHEMBL167469 0.79 BTK (0.64) BTKTNK2ACVRL1
SCHEMBL124181 0.78 BTK (0.82) BTKTNK2

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-20140357636-A1 Treatment of Skeletal-Related Disorders ROTHBAUM WAYNE (US) 2014-12-04 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-20140357636-A1 Treatment of Skeletal-Related Disorders SOST, COL2A1, CYP27B1 BTK 4374/4885TNK2 1030/4885MTOR 3262/4885

“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.