SCHEMBL2813708

SCHEMBL2813708

COC[C@H](C)Nc1nc2c3c(n[nH]c3n1)CCN2Cc1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 7/20 0.34
IDH1 O75874 1/20 0.33
STAT6 P42226 1/20 0.33
MAPK1 P28482 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
BCDIN3D Q7Z5W3 1/20 0.32
C5AR1 P21730 1/20 0.31
ACACB O00763 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.31
HTT P42858 1/20 0.31
CLPP Q16740 1/20 0.31

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
SCHEMBL2814450 1.00 BRS3 (0.34) BRS3IDH1STAT6MAPK1MEN1
SCHEMBL2812978 0.89 PKM (0.36) BRS3STAT6MAPK1KMT2AKDM4E
SCHEMBL2808279 0.88 BRS3 (0.41) BRS3STAT6MAPK1MEN1KMT2A
SCHEMBL2811941 0.81 CLPP (0.41) BRS3STAT6KMT2AKDM4ELMNA
SCHEMBL2812993 0.80 CDK2 (0.39) BRS3STAT6MAPK1MEN1KMT2A
SCHEMBL537583 0.80 CLPP (0.49) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL2812960 0.79 CLPP (0.40) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL2812368 0.78 CNR2 (0.37) IDH1MEN1KMT2AKDM4ELMNA
SCHEMBL2812210 0.78 SIGMAR1 (0.46) KDM4EALDH1A1GAAMAPTTSHR
SCHEMBL537893 0.78 ALDH1A1 (0.40) BRS3MAPK1KDM4ELMNAALDH1A1

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 3282/4885IDH1 149/4885STAT6 2074/4885

“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.