Sugi Predict

Sugi Predict / Compounds / SCHEMBL2019036

SCHEMBL2019036

SCHEMBL2019036

O=S(=O)(c1ccc(Cl)cc1)N1CCC(CNc2nccc(-c3cn4c5c(cccc35)CCC4)n2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 10/20 0.43
▸ KCNH2 Q12809 1/20 0.42
▸ IKBKB O14920 4/20 0.40
▸ CHUK O15111 1/20 0.40
▸ CDC7 O00311 1/20 0.39
▸ ROCK2 O75116 1/20 0.39
▸ CCNB2 O95067 1/20 0.39
▸ MAP4K4 O95819 1/20 0.39
▸ CDK1 P06493 1/20 0.39
▸ RET P07949 1/20 0.39
▸ CCNB1 P14635 1/20 0.39
▸ PRKACA P17612 1/20 0.39
▸ CDK2 P24941 1/20 0.39
▸ GSK3B P49841 1/20 0.39
▸ CCNB3 Q8WWL7 1/20 0.39
▸ HIPK2 Q9H2X6 1/20 0.39
▸ MKNK2 Q9HBH9 1/20 0.39
▸ IRAK4 Q9NWZ3 1/20 0.39
▸ POLB P06746 1/20 0.37
▸ HTT P42858 1/20 0.37

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
SCHEMBL2021439 0.88 EGFR (0.47) EGFRKCNH2IKBKBCDC7ROCK2
SCHEMBL12475277 0.85 EGFR (0.46) EGFRKCNH2CDC7ROCK2CCNB2
SCHEMBL2018528 0.84 EGFR (0.47) EGFRKCNH2CDC7ROCK2CCNB2
SCHEMBL12572739 0.82 CDC7 (0.47) EGFRKCNH2CDC7ROCK2CCNB2
Hydrochloric Acid SCHEMBL2021469 0.81 CDC7 (0.46) EGFRKCNH2CDC7ROCK2CCNB2
SCHEMBL12475236 0.81 EGFR (0.46) EGFRKCNH2CDC7ROCK2CCNB2
SCHEMBL2021430 0.80 EGFR (0.48) EGFRKCNH2
SCHEMBL2016080 0.80 EGFR (0.49) EGFRKCNH2CDC7ROCK2CCNB2
SCHEMBL2020150 0.80 EGFR (0.49) EGFRKCNH2CDC7ROCK2CCNB2
SCHEMBL2017372 0.79 EGFR (0.50) EGFRKCNH2

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 8 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
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 4116/4885IKBKB 459/4885

“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.