SCHEMBL537724

SCHEMBL537724

COc1ccc(CN2CCc3nn(Cc4ccccc4)c4nc(S(C)(=O)=O)nc2c34)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.43
KDM4E B2RXH2 3/20 0.43
MAPT P10636 3/20 0.43
LMNA P02545 2/20 0.41
CLPP Q16740 2/20 0.41
SIGMAR1 Q99720 1/20 0.40
MEN1 O00255 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GAA P10253 3/20 0.39
ALDH1A1 P00352 4/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
NPBWR1 P48145 1/20 0.38
TLR7 Q9NYK1 2/20 0.37
GABRA1 P14867 1/20 0.37
GABRA2 P47869 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL537843 0.86 GAA (0.41) KMT2AKDM4EMAPTLMNAMEN1
SCHEMBL537635 0.83 SIGMAR1 (0.42) KMT2AKDM4EMAPTLMNACLPP
SCHEMBL2808269 0.82 CLPP (0.48) KMT2AKDM4EMAPTCLPPSIGMAR1
SCHEMBL2811750 0.81 HTT (0.47) KMT2AKDM4ELMNACLPPSIGMAR1
SCHEMBL2814404 0.80 HRH4 (0.44) KMT2AKDM4ELMNASIGMAR1MEN1
SCHEMBL2809473 0.80 TSHR (0.42) KMT2AKDM4EMAPTLMNASIGMAR1
SCHEMBL538222 0.80 ALDH1A1 (0.42) KMT2AKDM4EMAPTLMNACLPP
SCHEMBL2814449 0.80 ADORA3 (0.42) MAPTCLPPSIGMAR1SMN1; SMN2ALDH1A1
SCHEMBL13145454 0.80 CLPP (0.46) KMT2AKDM4ECLPPSIGMAR1MEN1
SCHEMBL2811865 0.80 CFTR (0.41) KMT2AKDM4EMAPTLMNACLPP

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 KMT2A 2836/4885KDM4E 2749/4885MAPT 2947/4885

“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.