SCHEMBL2808279

SCHEMBL2808279

CC(C)Nc1nc2c3c(n[nH]c3n1)CCN2Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 7/20 0.41
MAPK1 P28482 3/20 0.39
APP P05067 2/20 0.37
BCHE P06276 2/20 0.37
ACHE P22303 2/20 0.37
STAT6 P42226 1/20 0.36
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34
KCNH3 Q9ULD8 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL2812978 0.91 PKM (0.36) BRS3MAPK1STAT6KDM4EALDH1A1
SCHEMBL2814450 0.88 BRS3 (0.34) BRS3MAPK1STAT6KDM4EALDH1A1
SCHEMBL2813708 0.88 BRS3 (0.34) BRS3MAPK1STAT6KDM4EALDH1A1
SCHEMBL2811941 0.86 CLPP (0.41) BRS3STAT6KDM4EALDH1A1KMT2A
SCHEMBL2812993 0.85 CDK2 (0.39) BRS3MAPK1STAT6KDM4EALDH1A1
SCHEMBL537893 0.83 ALDH1A1 (0.40) BRS3MAPK1KDM4EALDH1A1SMN1; SMN2
SCHEMBL2809575 0.83 BRS3 (0.40) BRS3MAPK1APPBCHEACHE
SCHEMBL2812298 0.82 CLPP (0.38) BCHEACHESTAT6KDM4EALDH1A1
SCHEMBL2812250 0.81 ACHE (0.39) BRS3APPACHESTAT6KDM4E
SCHEMBL537583 0.81 CLPP (0.49) APPACHEKDM4EALDH1A1KMT2A

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 3282/4885MAPK1 1997/4885APP 3167/4885

“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.