SCHEMBL538740

SCHEMBL538740

CCOC(=O)C1CN(Cc2ccccc2)c2nc(SC)nc3[nH]nc1c23

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 2/20 0.38
CACNA1H O95180 2/20 0.38
CACNA1I Q9P0X4 2/20 0.38
ALDH1A1 P00352 6/20 0.37
LMNA P02545 1/20 0.37
CASP3 P42574 1/20 0.36
HPGD P15428 2/20 0.36
TSHR P16473 2/20 0.36
MAPK1 P28482 2/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
USP30 Q70CQ3 1/20 0.35
PPARG P37231 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
SCHEMBL2833697 0.89 CACNA1G (0.39) CACNA1GCACNA1HCACNA1IALDH1A1MAPK1
SCHEMBL538550 0.85 CACNA1I (0.44) CACNA1GCACNA1HCACNA1IALDH1A1HSD17B10
SCHEMBL537601 0.82 POLB (0.40) ALDH1A1LMNAMAPK1MEN1KMT2A
SCHEMBL537550 0.77 MEN1 (0.38) CACNA1GCACNA1HCACNA1IALDH1A1CASP3
SCHEMBL537471 0.76 MEN1 (0.36) CACNA1GCACNA1HCACNA1IALDH1A1CASP3
SCHEMBL3528616 0.75 SLC6A2 (0.41) ALDH1A1LMNAHPGDTSHRHSD17B10
SCHEMBL537709 0.74 SMN1; SMN2 (0.37) ALDH1A1LMNATSHRHSD17B10
SCHEMBL538741 0.72 USP30 (0.37) CACNA1GCACNA1HCACNA1IALDH1A1LMNA
SCHEMBL538580 0.71 CACNA1G (0.41) CACNA1GCACNA1HCACNA1IALDH1A1MEN1
SCHEMBL537883 0.70 SMN1; SMN2 (0.39) ALDH1A1LMNAHPGDMAPK1HSD17B10

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 CACNA1G 4588/4885CACNA1H 4714/4885CACNA1I 4255/4885

“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.