SCHEMBL18039638

SCHEMBL18039638

O=C1CC(c2cccc(NC(=O)c3ccccc3-c3ccccc3)c2)=Nc2cscc2N1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.47
▸ HTT P42858 2/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ CHRNB2 P17787 1/20 0.46
▸ CHRNB4 P30926 1/20 0.46
▸ CHRNA3 P32297 1/20 0.46
▸ CHRNA4 P43681 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ BRD4 O60885 1/20 0.44
▸ CREBBP Q92793 1/20 0.44
▸ CSF1R P07333 1/20 0.42
▸ RET P07949 1/20 0.42
▸ PDGFRB P09619 1/20 0.42
▸ FLT3 P36888 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ RAF1 P04049 2/20 0.41
▸ BRAF P15056 1/20 0.41
▸ PIK3CA P42336 1/20 0.41
▸ RAB9A P51151 1/20 0.41

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
SCHEMBL18054780 0.91 CHRNB2 (0.47) ALDH1A1HTTL3MBTL1CHRNB2CHRNB4
SCHEMBL19837787 0.87 RAF1 (0.48) ALDH1A1GAABRD4CREBBPCSF1R
SCHEMBL19837779 0.83 GRM2 (0.48) HTTKDM4ECSF1RRETPDGFRB
SCHEMBL18039705 0.82 POLB (0.51) ALDH1A1HTTCSF1RRETPDGFRB
SCHEMBL19837785 0.82 CSF1R (0.45) ALDH1A1CSF1RRETPDGFRBFLT3
SCHEMBL18039623 0.82 GRM2 (0.48) KDM4EGAACSF1RRETPDGFRB
SCHEMBL18054775 0.81 RAF1 (0.48) ALDH1A1HTTL3MBTL1CSF1RRET
SCHEMBL18039660 0.81 MEN1 (0.46) ALDH1A1HTTCSF1RRETPDGFRB
SCHEMBL19837796 0.81 RAB9A (0.45) ALDH1A1HTTL3MBTL1CSF1RRET
SCHEMBL18039593 0.80 BRAF (0.50) ALDH1A1KDM4ECSF1RRETPDGFRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10174047-B2 Thienodiazepine derivatives or pharmaceutically acceptable salts thereof, and pharmaceutical composition including the same as an active ingredient INDUSTRY-UNIVERSITY COOPERATION FOUNDATION HANYANG UNIVERSITY ERICA CAMPUS (KR) 2019-01-08 — — US claimed
US-20180037589-A1 THIENODIAZEPINE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT INDUSTRY-UNIVERSITY COOPERATION FOUNDATION HANYANG UNIVERSITY ERICA CAMPUS (KR) 2018-02-08 — — US claimed
US-10174047-B2 Thienodiazepine derivatives or pharmaceutically acceptable salts thereof, and pharmaceutical composition including the same as an active ingredient INDUSTRY-UNIVERSITY COOPERATION FOUNDATION HANYANG UNIVERSITY ERICA CAMPUS (KR) 2019-01-08 — — US disclosed
US-10174047-B2 Thienodiazepine derivatives or pharmaceutically acceptable salts thereof, and pharmaceutical composition including the same as an active ingredient INDUSTRY-UNIVERSITY COOPERATION FOUNDATION HANYANG UNIVERSITY ERICA CAMPUS (KR) 2019-01-08 — — US disclosed
US-20180037589-A1 THIENODIAZEPINE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT INDUSTRY-UNIVERSITY COOPERATION FOUNDATION HANYANG UNIVERSITY ERICA CAMPUS (KR) 2018-02-08 — — US disclosed
US-20180037589-A1 THIENODIAZEPINE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT INDUSTRY-UNIVERSITY COOPERATION FOUNDATION HANYANG UNIVERSITY ERICA CAMPUS (KR) 2018-02-08 — — US disclosed
US-20180037589-A1 THIENODIAZEPINE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT INDUSTRY-UNIVERSITY COOPERATION FOUNDATION HANYANG UNIVERSITY ERICA CAMPUS (KR) 2018-02-08 — — US disclosed
WO-2016137060-A1 THIENODIAZEPINE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT 한양대학교 에리카산학협력단 2016-09-01 — — WO disclosed
WO-2016137060-A1 THIENODIAZEPINE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT 한양대학교 에리카산학협력단 2016-09-01 — — WO 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 (2 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-20180037589-A1 THIENODIAZEPINE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT RET, PDGFRB, FLT3 ALDH1A1 1186/4885HTT 1941/4885L3MBTL1 3994/4885
US-10174047-B2 Thienodiazepine derivatives or pharmaceutically acceptable salts thereof, and pharmaceutical composition including the same as an active ingredient PDGFRB, RET, PDGFRA ALDH1A1 1000/4885HTT 1818/4885L3MBTL1 3459/4885

“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.

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