SCHEMBL538442

SCHEMBL538442

CS(=O)(=O)c1nc2c3c(n[nH]c3n1)CCN2Cc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 1/20 0.38
BRS3 P32247 8/20 0.38
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 1/20 0.37
ABL1 P00519 1/20 0.35
SRC P12931 1/20 0.35
CLPP Q16740 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
POLB P06746 1/20 0.34
DRD2 P14416 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 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
SCHEMBL13131549 0.88 GAA (0.43) TLR7BRS3CLPPPOLBKDM4E
SCHEMBL13131766 0.82 TYMS (0.41) BRS3CLPPPOLBKDM4EALDH1A1
SCHEMBL537883 0.80 SMN1; SMN2 (0.39) BRS3DDB1CRBNABL1SRC
SCHEMBL2811941 0.80 CLPP (0.41) BRS3DDB1CRBNCLPPKDM4E
SCHEMBL2808279 0.78 BRS3 (0.41) BRS3DDB1CRBNKDM4EALDH1A1
SCHEMBL2809499 0.77 HTR6 (0.46) BRS3KDM4EALDH1A1
SCHEMBL2809641 0.77 ALDH1A1 (0.44) DRD2KDM4EALDH1A1KMT2A
SCHEMBL2812993 0.77 CDK2 (0.39) BRS3KDM4EALDH1A1LMNAMAPT
SCHEMBL2812038 0.77 BRS3 (0.44) BRS3
SCHEMBL537893 0.77 ALDH1A1 (0.40) TLR7BRS3POLBKDM4EALDH1A1

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 9 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
EP-2414359-A1 PERI-FUSED PYRAZOLO-PYRIMIDINE COMPOUNDS ArQule, Inc. (US) 2012-02-08 EP disclosed
WO-2010114905-A1 PERI-FUSED PYRAZOLO-PYRIMIDINE COMPOUNDS ARQULE, INC. (US) 2010-10-07 WO 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 TLR7 3602/4885BRS3 3282/4885DDB1 636/4885

“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.