SCHEMBL537843

SCHEMBL537843

COc1ccc(CN2CCc3nn(C)c4nc(S(C)(=O)=O)nc2c34)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.41
KDM4E B2RXH2 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPT P10636 2/20 0.39
TLR7 Q9NYK1 1/20 0.37
TYMS P04818 4/20 0.37
SDHB P21912 1/20 0.36
ALDH1A1 P00352 4/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
LMNA P02545 2/20 0.36
POLB P06746 1/20 0.36
MAPK1 P28482 1/20 0.36
MEN1 O00255 2/20 0.36
PDE1B Q01064 1/20 0.35
MAOB P27338 1/20 0.35
ADORA1 P30542 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 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
SCHEMBL537724 0.86 KMT2A (0.43) GAAKDM4EKMT2AMAPTTLR7
SCHEMBL537665 0.81 MAPT (0.41) GAAKDM4EKMT2AMAPTALDH1A1
SCHEMBL13131549 0.81 GAA (0.43) GAAKDM4EKMT2AMAPTTLR7
SCHEMBL2811678 0.80 CCNE2 (0.39) GAAKDM4EKMT2AMAPTALDH1A1
SCHEMBL2809514 0.80 HTR6 (0.46) GAAKDM4EKMT2AALDH1A1MAPK1
SCHEMBL2814487 0.78 BCDIN3D (0.40) GAAKMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL2809527 0.78 MAPT (0.45) KDM4EKMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL2816716 0.78 CCNE2 (0.37) GAAMAPTTLR7ALDH1A1SMN1; SMN2
SCHEMBL2812793 0.77 HRH1 (0.47) KMT2AMAPTTLR7MEN1
SCHEMBL2814383 0.77 PDE1B (0.41) GAAKDM4EKMT2AMAPTALDH1A1

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 1908/4885KDM4E 2749/4885KMT2A 2836/4885

“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.