SCHEMBL20005608

SCHEMBL20005608

Pn1cc(I)c2c(Cl)ncnc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADK P55263 9/20 0.46
SLC29A1 Q99808 1/20 0.44
CHEK1 O14757 1/20 0.41
SRC P12931 1/20 0.36
MEN1 O00255 1/20 0.33
NR2F2 P24468 1/20 0.33
KMT2A Q03164 1/20 0.33
DYRK3 O43781 1/20 0.31
ROCK2 O75116 1/20 0.31
PRKD3 O94806 1/20 0.31
MAP4K4 O95819 1/20 0.31
PHKG2 P15735 1/20 0.31
PRKACA P17612 1/20 0.31
RPS6KB1 P23443 1/20 0.31
MARK3 P27448 1/20 0.31
FLT3 P36888 1/20 0.31
CSNK1A1 P48729 1/20 0.31
CSNK1D P48730 1/20 0.31
CLK2 P49760 1/20 0.31
IRAK1 P51617 1/20 0.31

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
SCHEMBL17705872 0.78 ADK (0.47) ADKSLC29A1CHEK1SRCMEN1
SCHEMBL12934032 0.78 ADK (0.46) ADKSLC29A1CHEK1SRCMEN1
SCHEMBL16790663 0.78 ADK (0.46) ADKSLC29A1CHEK1SRCMEN1
SCHEMBL3605358 0.78 ADK (0.49) ADKSLC29A1CHEK1SRCMEN1
SCHEMBL29589509 0.74 ADK (0.46) ADKSLC29A1CHEK1SRC
SCHEMBL18496750 0.74 ADK (0.46) ADKSLC29A1CHEK1SRC
SCHEMBL29503417 0.74 ADK (0.46) ADKSLC29A1CHEK1SRCMEN1
SCHEMBL407871 0.74 ADK (0.46) ADKSLC29A1CHEK1SRCMEN1
SCHEMBL16236999 0.74 ADK (0.46) ADKSLC29A1CHEK1SRCMEN1
SCHEMBL24672093 0.73

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-20180086770-A1 METHOD FOR PRODUCNG TRICYCLIC COMPOUND, AND TRICYCLIC COMPOUND CAPABLE OF BEING PRODUCED BY SAID PRODUCTION METHOD TAIHO PHARMACEUTICAL CO., LTD. (JP) 2018-03-29 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-20180086770-A1 METHOD FOR PRODUCNG TRICYCLIC COMPOUND, AND TRICYCLIC COMPOUND CAPABLE OF BEING PRODUCED BY SAID PRODUCTION METHOD DHPS, PAH, COASY ADK 2649/4885SLC29A1 2001/4885CHEK1 3256/4885

“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.