SCHEMBL537857

SCHEMBL537857

COc1ccc(CN2CCc3n[nH]c4nc(SC)nc2c34)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.42
LMNA P02545 3/20 0.40
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40
CLPP Q16740 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
BRS3 P32247 1/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
ABL1 P00519 1/20 0.35
SRC P12931 1/20 0.35
GFER P55789 1/20 0.34
HPGD P15428 1/20 0.34
PTGIR P43119 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 2/20 0.34
DHFR P00374 1/20 0.34
MEN1 O00255 1/20 0.34
MMP1 P03956 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
SCHEMBL537755 0.94 KDM4E (0.39) GAALMNAALDH1A1KDM4EMAPT
SCHEMBL537883 0.87 SMN1; SMN2 (0.39) GAALMNAALDH1A1KDM4EMAPT
SCHEMBL13131549 0.82 GAA (0.43) GAALMNAALDH1A1KDM4EMAPT
SCHEMBL537583 0.81 CLPP (0.49) GAAALDH1A1KDM4EMAPTCLPP
SCHEMBL2812929 0.81 CLK4 (0.43) GAALMNAALDH1A1KDM4EMAPT
SCHEMBL2813444 0.80 AXL (0.43) GAALMNAALDH1A1MAPTCLPP
SCHEMBL2811863 0.80 MEN1 (0.44) GAAALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL537665 0.80 MAPT (0.41) GAALMNAALDH1A1KDM4EMAPT
SCHEMBL2809635 0.79 SIGMAR1 (0.50) GAALMNAALDH1A1KDM4EMAPT
SCHEMBL14405858 0.79 HSD17B10 (0.43) GAALMNAALDH1A1KDM4EMAPT

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 GAA 1908/4885LMNA 2815/4885ALDH1A1 924/4885

“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.