SCHEMBL2812368

SCHEMBL2812368

COC[C@H](C)Nc1nc2c3c(nn(Cc4ccccc4)c3n1)CCN2Cc1ccc(OC)cc1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.37
SIGMAR1 Q99720 1/20 0.37
CLPP Q16740 2/20 0.37
IDH1 O75874 1/20 0.36
TSHR P16473 3/20 0.35
GAA P10253 3/20 0.35
ALDH1A1 P00352 3/20 0.35
ALOX15 P16050 2/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
NPSR1 Q6W5P4 4/20 0.35
HTT P42858 2/20 0.35
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 2/20 0.34
HSD17B10 Q99714 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
SCHEMBL2812103 0.88 GAA (0.36) CNR2GAAALDH1A1LMNASMN1; SMN2
SCHEMBL2808269 0.86 CLPP (0.48) SIGMAR1CLPPTSHRALDH1A1POLB
SCHEMBL2809338 0.84 CLPP (0.39) CNR2SIGMAR1CLPPTSHRGAA
SCHEMBL2814449 0.83 ADORA3 (0.42) SIGMAR1CLPPALDH1A1SMN1; SMN2MAPT
SCHEMBL13145454 0.83 CLPP (0.46) SIGMAR1CLPPTSHRALDH1A1POLB
SCHEMBL2814236 0.83 CLPP (0.39) SIGMAR1CLPPTSHRGAAALDH1A1
SCHEMBL2814131 0.82 CLPP (0.45) SIGMAR1CLPPALDH1A1HTTSMN1; SMN2
SCHEMBL2809608 0.82 ACHE (0.43) CNR2SIGMAR1CLPPKMT2AMEN1
SCHEMBL2808082 0.81 ACHE (0.39) CNR2SIGMAR1CLPPTSHRGAA
SCHEMBL2812217 0.80 ADORA3 (0.44) SIGMAR1CLPPALDH1A1POLBKMT2A

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 CNR2 1666/4885SIGMAR1 4535/4885CLPP 2832/4885

“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.