SCHEMBL537725

SCHEMBL537725

COc1ccc(CN2CCC3NN(Cc4ccccc4)c4nc(S(C)(=O)=O)nc2c43)cc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.42
KDM4E B2RXH2 3/20 0.42
MAPT P10636 3/20 0.42
LMNA P02545 1/20 0.40
SIGMAR1 Q99720 3/20 0.40
ALDH1A1 P00352 3/20 0.39
CLPP Q16740 1/20 0.38
MEN1 O00255 3/20 0.37
HRH2 P25021 1/20 0.37
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
POLB P06746 1/20 0.36
RORC P51449 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
SCHEMBL537844 0.87 GAA (0.38) KMT2AKDM4EMAPTLMNAALDH1A1
SCHEMBL538466 0.85 SIGMAR1 (0.41) KMT2AKDM4EMAPTLMNASIGMAR1
SCHEMBL2808272 0.84 ACHE (0.46) KMT2ASIGMAR1CLPPMEN1
SCHEMBL2811753 0.83 EHMT2 (0.42) KMT2ASIGMAR1MEN1HRH2SMN1; SMN2
SCHEMBL2809475 0.83 DNMT3A (0.47) KMT2AKDM4EMAPTLMNASIGMAR1
SCHEMBL2814408 0.83 HRH4 (0.43) SIGMAR1
SCHEMBL538223 0.82 MAPT (0.41) KMT2AMAPTLMNASIGMAR1ALDH1A1
SCHEMBL2814452 0.82 SMN1; SMN2 (0.41) KMT2AKDM4EMAPTSIGMAR1ALDH1A1
SCHEMBL2809610 0.82 ACHE (0.44) KMT2ASIGMAR1MEN1HRH2
SCHEMBL2809346 0.81 SIGMAR1 (0.38) KMT2AKDM4EMAPTSIGMAR1ALDH1A1

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 4 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
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
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.