SCHEMBL538466

SCHEMBL538466

COc1ccc(CN2CCC3NN(Cc4ccccc4)c4nc(SC)nc2c43)cc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.41
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
HRH2 P25021 1/20 0.38
CLPP Q16740 1/20 0.37
KDM4E B2RXH2 2/20 0.37
MAPT P10636 2/20 0.37
RORC P51449 1/20 0.37
PTGIR P43119 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
ACHE P22303 1/20 0.36
BACE1 P56817 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
SCHEMBL537988 0.92 ALDH1A1 (0.34) KDM4EMAPTALDH1A1LMNAACHE
SCHEMBL537664 0.86 PTGIR (0.39) SIGMAR1KMT2AKDM4EMAPTPTGIR
SCHEMBL2808272 0.86 ACHE (0.46) SIGMAR1KMT2AMEN1CLPPACHE
SCHEMBL537725 0.85 KMT2A (0.42) SIGMAR1KMT2AMEN1HRH2CLPP
SCHEMBL2811753 0.85 EHMT2 (0.42) SIGMAR1KMT2AMEN1HRH2
SCHEMBL2814408 0.84 HRH4 (0.43) SIGMAR1
SCHEMBL2809475 0.84 DNMT3A (0.47) SIGMAR1KMT2AMEN1KDM4EMAPT
SCHEMBL538223 0.83 MAPT (0.41) SIGMAR1KMT2AMEN1CLPPMAPT
SCHEMBL2814452 0.83 SMN1; SMN2 (0.41) SIGMAR1KMT2AMEN1KDM4EMAPT
SCHEMBL2809610 0.83 ACHE (0.44) SIGMAR1KMT2AMEN1HRH2ACHE

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 SIGMAR1 4535/4885KMT2A 2836/4885MEN1 1767/4885

“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.