SCHEMBL537723

SCHEMBL537723

COc1ccc(CN2CCC3c4c(nc(SC)nc42)NN3Cc2ccccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.40
KMT2A Q03164 3/20 0.38
KDM4E B2RXH2 3/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 2/20 0.37
HRH2 P25021 1/20 0.37
CLPP Q16740 1/20 0.36
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
ACHE P22303 1/20 0.35
BACE1 P56817 1/20 0.35

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
SCHEMBL538466 0.79 SIGMAR1 (0.41) SIGMAR1KMT2AKDM4EMAPTMEN1
SCHEMBL537858 0.79 PTGIR (0.39) SIGMAR1KMT2AKDM4EMAPTALDH1A1
SCHEMBL537664 0.77 PTGIR (0.39) SIGMAR1KMT2AKDM4EMAPTALDH1A1
SCHEMBL537884 0.74 ALDH1A1 (0.34) KDM4EMAPTALDH1A1LMNAACHE
SCHEMBL2809963 0.72 KDM4E (0.37) KDM4EMAPTALDH1A1ACHE
SCHEMBL537722 0.70 CLPP (0.41) SIGMAR1KMT2AKDM4EMAPTMEN1
SCHEMBL537988 0.70 ALDH1A1 (0.34) KDM4EMAPTALDH1A1LMNAACHE
SCHEMBL537635 0.69 SIGMAR1 (0.42) SIGMAR1KMT2AKDM4EMAPTMEN1
SCHEMBL537584 0.69 ACHE (0.45) SIGMAR1KMT2AMAPTMEN1CLPP
SCHEMBL2812798 0.67 ACHE (0.46) SIGMAR1KMT2AMEN1CLPPACHE

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 2836/4885KDM4E 2749/4885

“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.