SCHEMBL2809575

SCHEMBL2809575

c1ccc(CN2CCc3n[nH]c4nc(NC5CCC5)nc2c34)cc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 2/20 0.40
ROCK2 O75116 4/20 0.39
ACHE P22303 6/20 0.38
CCR2 P41597 2/20 0.37
ROCK1 Q13464 2/20 0.37
MAPK1 P28482 2/20 0.37
PLK4 O00444 1/20 0.36
PAK4 O96013 1/20 0.36
APP P05067 1/20 0.35
BCHE P06276 1/20 0.35
BACE1 P56817 2/20 0.35
GAA P10253 1/20 0.35
MCHR1 Q99705 1/20 0.35
STAT6 P42226 1/20 0.35

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
SCHEMBL2808288 0.89 ROCK1 (0.38) ROCK1STAT6
SCHEMBL2811941 0.85 CLPP (0.41) BRS3GAASTAT6
SCHEMBL2814062 0.84 ROCK2 (0.41) BRS3ROCK2ACHECCR2ROCK1
SCHEMBL2808279 0.83 BRS3 (0.41) BRS3ACHEMAPK1APPBCHE
SCHEMBL2812250 0.83 ACHE (0.39) BRS3ACHEAPPGAASTAT6
SCHEMBL2809583 0.83 ACHE (0.39) BRS3ACHEAPPGAASTAT6
SCHEMBL2812298 0.80 CLPP (0.38) ACHEBCHEBACE1GAASTAT6
SCHEMBL2812222 0.80 ACHE (0.41) ROCK2ACHECCR2ROCK1BACE1
SCHEMBL537893 0.79 ALDH1A1 (0.40) BRS3MAPK1
SCHEMBL2812067 0.79 HRH1 (0.39) ROCK2ACHECCR2ROCK1BACE1

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 7 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
WO-2010114905-A1 PERI-FUSED PYRAZOLO-PYRIMIDINE COMPOUNDS ARQULE, INC. (US) 2010-10-07 WO 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 BRS3 3282/4885ROCK2 3161/4885ACHE 4402/4885

“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.