SCHEMBL2813059

SCHEMBL2813059

COc1ccc(CN2CCc3n[nH]c4nc(NCc5cccc(F)c5)nc2c34)cc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CLPP Q16740 2/20 0.39
MAPK1 P28482 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
HRH1 P35367 2/20 0.39
HRH4 Q9H3N8 2/20 0.39
TP53 P04637 1/20 0.38
GAA P10253 2/20 0.37
MAP2K4 P45985 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
GRM5 P41594 1/20 0.36
MAPT P10636 1/20 0.36
PLK4 O00444 1/20 0.36
PAK4 O96013 1/20 0.36
CLK1 P49759 1/20 0.36
DYRK1A Q13627 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRL1 P41146 1/20 0.36

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
SCHEMBL537583 0.89 CLPP (0.49) CLPPALDH1A1POLBHRH1HRH4
SCHEMBL2812210 0.87 SIGMAR1 (0.46) CLPPALDH1A1TP53GAATLR7
SCHEMBL2812929 0.85 CLK4 (0.43) CLPPMAPK1ALDH1A1POLBHRH1
SCHEMBL2809363 0.85 GRK6 (0.42) ALDH1A1POLBGAAMAPT
SCHEMBL2816650 0.85 ALDH1A1 (0.43) CLPPALDH1A1HRH1HRH4GAA
SCHEMBL2812960 0.84 CLPP (0.40) CLPPALDH1A1HRH1HRH4GAA
SCHEMBL2813934 0.84 CLPP (0.42) CLPPALDH1A1HRH1HRH4GAA
SCHEMBL2810268 0.84 CLPP (0.42) CLPPALDH1A1HRH1HRH4GAA
SCHEMBL2812343 0.84 CLPP (0.45) CLPPALDH1A1POLBHRH1HRH4
SCHEMBL2813804 0.83 CXCR4 (0.42) CLPPMAPK1ALDH1A1HRH1HRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8343983-B2 Substituted pyrazolo-pyrimidine compounds ARQULE, INC. (US) 2013-01-01 US disclosed
US-8343983-B2 Substituted pyrazolo-pyrimidine compounds ARQULE, INC. (US) 2013-01-01 US disclosed
US-8343983-B2 Substituted pyrazolo-pyrimidine compounds ARQULE, INC. (US) 2013-01-01 US disclosed
US-20100249110-A1 SUBSTITUTED PYRAZOLO-PYRIMIDINE COMPOUNDS ARQULE, INC. (US) 2010-09-30 US disclosed
US-20100249110-A1 SUBSTITUTED PYRAZOLO-PYRIMIDINE COMPOUNDS ARQULE, INC. (US) 2010-09-30 US disclosed
US-20100249110-A1 SUBSTITUTED PYRAZOLO-PYRIMIDINE COMPOUNDS ARQULE, INC. (US) 2010-09-30 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-20100249110-A1 SUBSTITUTED PYRAZOLO-PYRIMIDINE COMPOUNDS DPYD, TYMP, TP53 CLPP 2832/4885MAPK1 1997/4885ALDH1A1 924/4885

“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.