SCHEMBL16857054

SCHEMBL16857054

COC(OC)c1c(Cl)cnc(-c2c(C)nn(C)c2C)c1N

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 1/20 0.36
FGFR2 P21802 1/20 0.36
FGFR3 P22607 1/20 0.36
KDM5B Q9UGL1 1/20 0.34
BRD4 O60885 3/20 0.33
BRD2 P25440 2/20 0.33
BRD3 Q15059 2/20 0.33
CTSA P10619 1/20 0.32
LRRK2 Q5S007 1/20 0.32
EGFR P00533 1/20 0.31
POLB P06746 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
SCHEMBL16856937 0.76 HDAC3 (0.35) KDM5BBRD4BRD2BRD3
SCHEMBL16857314 0.75 KDM4E (0.35)
SCHEMBL16856881 0.73 ALDH1A1 (0.35) LRRK2
SCHEMBL16856964 0.72 CCNB2 (0.38) KDM5BLRRK2
SCHEMBL17059209 0.68 KDM5B (0.38) FGFR1FGFR2FGFR3KDM5BBRD4
SCHEMBL16856864 0.68
SCHEMBL16857143 0.68 MAPT (0.33)
SCHEMBL16857127 0.67 FYN (0.35)
SCHEMBL16856961 0.65
SCHEMBL16856958 0.65 PIK3CA (0.35)

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-20150299188-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-10-22 US disclosed
EP-2889291-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2015-07-01 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-20150299188-A1 HETEROCYCLIC COMPOUND PTGIS, LIPG, FEN1 FGFR1 2449/4885FGFR2 3635/4885FGFR3 4131/4885

“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.