SCHEMBL19837779

SCHEMBL19837779

O=C1CC(c2cccc(NC(=O)c3ccncc3)c2)=Nc2cscc2N1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 5/20 0.48
▸ KCNK3 O14649 2/20 0.45
▸ CYP3A4 P08684 1/20 0.44
▸ CSF1R P07333 1/20 0.43
▸ RET P07949 1/20 0.43
▸ PDGFRB P09619 1/20 0.43
▸ FLT3 P36888 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ PIK3CA P42336 2/20 0.43
▸ RAF1 P04049 1/20 0.42
▸ BRAF P15056 1/20 0.42
▸ ITGA2B P08514 1/20 0.41
▸ KCNK9 Q9NPC2 1/20 0.41
▸ FDPS P14324 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ DYRK1A Q13627 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
SCHEMBL19837787 0.90 RAF1 (0.48) GRM2CSF1RRETPDGFRBFLT3
SCHEMBL18039623 0.90 GRM2 (0.48) GRM2KCNK3CYP3A4CSF1RRET
SCHEMBL18054771 0.88 CSF1R (0.49) GRM2CSF1RRETPDGFRBFLT3
SCHEMBL19837785 0.88 CSF1R (0.45) GRM2CYP3A4CSF1RRETPDGFRB
SCHEMBL19837796 0.86 RAB9A (0.45) GRM2CSF1RRETPDGFRBFLT3
SCHEMBL18039693 0.83 BRAF (0.42) CYP3A4CSF1RRETPDGFRBFLT3
SCHEMBL18039638 0.83 ALDH1A1 (0.47) CSF1RRETPDGFRBFLT3SMN1; SMN2
SCHEMBL18039697 0.82 BRAF (0.65) GRM2CYP3A4CSF1RRETPDGFRB
SCHEMBL18039602 0.82 GRM2 (0.52) GRM2CSF1RRETPDGFRBFLT3
SCHEMBL18039522 0.81 ALDH1A1 (0.49) CSF1RRETPDGFRBFLT3SMN1; SMN2

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-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

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 GRM2 3189/4885KCNK3 237/4885CYP3A4 1807/4885
US-10174047-B2 Thienodiazepine derivatives or pharmaceutically acceptable salts thereof, and pharmaceutical composition including the same as an active ingredient PDGFRB, RET, PDGFRA GRM2 3357/4885KCNK3 273/4885CYP3A4 1499/4885

“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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