SCHEMBL537471

SCHEMBL537471

CCOC(=O)C1CN(Cc2ccccc2)c2nc(SC)nc(NN)c2C1=O

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CASP3 P42574 1/20 0.36
CACNA1G O43497 1/20 0.35
CACNA1H O95180 1/20 0.35
CACNA1I Q9P0X4 1/20 0.35
ALDH1A1 P00352 4/20 0.35
SLC6A2 P23975 1/20 0.34
CACNA2D1 P54289 1/20 0.34
PPARG P37231 2/20 0.34
USP30 Q70CQ3 1/20 0.34
ACE P12821 1/20 0.34
HPGD P15428 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL537550 0.87 MEN1 (0.38) MEN1KMT2ACASP3CACNA1GCACNA1H
SCHEMBL3528616 0.80 SLC6A2 (0.41) MEN1KMT2AALDH1A1SLC6A2CACNA2D1
SCHEMBL538740 0.76 CACNA1G (0.38) MEN1KMT2ACASP3CACNA1GCACNA1H
SCHEMBL537545 0.73 MAPT (0.38) MEN1KMT2AALDH1A1HPGDL3MBTL1
SCHEMBL1832087 0.73 ALDH1A1 (0.57) MEN1KMT2ACASP3ALDH1A1HPGD
SCHEMBL538741 0.70 USP30 (0.37) CACNA1GCACNA1HCACNA1IALDH1A1USP30
SCHEMBL3291782 0.67 ALDH1A1 (0.44) MEN1KMT2AALDH1A1SLC6A2CACNA2D1
SCHEMBL11101244 0.66 KMT2A (0.46) MEN1KMT2AALDH1A1HPGDHSD17B10
SCHEMBL10750916 0.66 ALDH1A1 (0.43) MEN1KMT2ACASP3ALDH1A1USP30
SCHEMBL2833697 0.66 CACNA1G (0.39) KMT2ACACNA1GCACNA1HCACNA1IALDH1A1

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 MEN1 1767/4885KMT2A 2836/4885CASP3 567/4885

“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.