SCHEMBL3586959

SCHEMBL3586959

CC(C)(C)N(C(=O)O)c1cncc(C#Cc2cnc(N)nc2)c1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 7/20 0.40
RET P07949 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.36
LCK P06239 6/20 0.35
TEK Q02763 6/20 0.35
KDR P35968 5/20 0.34
EGLN1 Q9GZT9 1/20 0.31
EGLN3 Q9H6Z9 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
POLQ O75417 1/20 0.31
KIT P10721 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
SCHEMBL1024630 0.81 FFAR1 (0.43) GRM5PTGDR2KDRALDH1A1
SCHEMBL1024856 0.80 GRM5 (0.34) GRM5PTGDR2KDM4EMEN1ALDH1A1
SCHEMBL1024857 0.78 KDM4E (0.35) GRM5PTGDR2EGLN1KDM4EMEN1
SCHEMBL3568737 0.77 GRM5 (0.37) GRM5RETPTGDR2LCKTEK
SCHEMBL4638868 0.71 RET (0.41) RETPTGDR2LCKTEKKDR
SCHEMBL1532886 0.71 KDM4E (0.39) KDM4EMEN1ALDH1A1KMT2A
SCHEMBL19282553 0.71 HCAR2 (0.46) KDM4EMEN1ALDH1A1KMT2A
SCHEMBL22289328 0.70 HCAR2 (0.40) GRM5KDM4EMEN1ALDH1A1KMT2A
SCHEMBL1025623 0.70 POLB (0.44) KDM4EMEN1ALDH1A1KMT2A
SCHEMBL20608764 0.70 HCAR2 (0.44) GRM5KDM4EMEN1ALDH1A1KMT2A

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-20100048543-A1 PYRIMIDINE COMPOUNDS HAVING TIES (TEK) INHIBITORY ACTIVITY ASTRAZENECA AB (SE) 2010-02-25 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-20100048543-A1 PYRIMIDINE COMPOUNDS HAVING TIES (TEK) INHIBITORY ACTIVITY TEK, TYMP, TIE1 GRM5 1847/4885RET 118/4885PTGDR2 2826/4885

“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.