SCHEMBL2019525

SCHEMBL2019525

COc1ccc(NC(=O)N2CCC(CNc3nccc(-c4cn5c6c(cccc46)CCC5)n3)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EGFR P00533 15/20 0.52
KCNH2 Q12809 1/20 0.51
GRIN2B Q13224 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
JAK2 O60674 1/20 0.40
JAK3 P52333 1/20 0.40
MAPT P10636 1/20 0.39

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
SCHEMBL2021867 0.92 EGFR (0.48) EGFRKCNH2GRIN2BJAK2JAK3
SCHEMBL2017752 0.91 EGFR (0.48) EGFRKCNH2GRIN2BSMN1; SMN2JAK2
SCHEMBL2018528 0.91 EGFR (0.47) EGFRKCNH2GRIN2BJAK2JAK3
SCHEMBL2022912 0.90 EGFR (0.55) EGFRKCNH2
SCHEMBL2018160 0.90 EGFR (0.47) EGFRKCNH2GRIN2BSMN1; SMN2JAK2
SCHEMBL2019168 0.89 EGFR (0.47) EGFRKCNH2MEN1KMT2ASMN1; SMN2
SCHEMBL2016080 0.87 EGFR (0.49) EGFRKCNH2GRIN2B
SCHEMBL2021430 0.86 EGFR (0.48) EGFRKCNH2GRIN2BMEN1KMT2A
SCHEMBL2019799 0.85 EGFR (0.48) EGFRKCNH2GRIN2B
SCHEMBL2020110 0.85 EGFR (0.48) EGFRKCNH2GRIN2B

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8563567-B2 Substituted heterocyclic compounds ARQULE, INC. (US) 2013-10-22 US disclosed
US-8563567-B2 Substituted heterocyclic compounds ARQULE, INC. (US) 2013-10-22 US disclosed
US-8563567-B2 Substituted heterocyclic compounds ARQULE, INC. (US) 2013-10-22 US disclosed
WO-2011082266-A2 SUBSTITUTED HETEROCYCLIC COMPOUNDS ARQULE, INC. (US) 2011-07-07 WO disclosed
US-20110160237-A1 Substituted Heterocyclic Compounds ARQULE, INC. (US) 2011-06-30 US disclosed
US-20110160237-A1 Substituted Heterocyclic Compounds ARQULE, INC. (US) 2011-06-30 US disclosed
US-20110160237-A1 Substituted Heterocyclic Compounds ARQULE, INC. (US) 2011-06-30 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-20110160237-A1 Substituted Heterocyclic Compounds MKI67, CCNC, NQO1 EGFR 220/4885KCNH2 4116/4885GRIN2B 4135/4885

“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.