SCHEMBL15401066

SCHEMBL15401066

COc1ccc(N2CCN(CC(=O)Nc3nc(-c4ccccc4)cs3)CC2)cc1

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.74
MAPK1 P28482 2/20 0.73
HTT P42858 2/20 0.73
SMN1; SMN2 Q16637 2/20 0.73
POLB P06746 1/20 0.73
MMP2 P08253 1/20 0.71
MMP8 P22894 1/20 0.71
USP2 O75604 1/20 0.70
NPC1 O15118 1/20 0.66
APP P05067 1/20 0.64
LMNA P02545 3/20 0.62
MAPT P10636 1/20 0.60
KMT2A Q03164 1/20 0.60
ACHE P22303 1/20 0.60
ADORA3 P0DMS8 1/20 0.59

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
SCHEMBL15403403 0.91 ACHE (0.74) KDRMAPK1HTTSMN1; SMN2POLB
SCHEMBL15401573 0.90 MMP2 (0.76) KDRMAPK1HTTSMN1; SMN2POLB
SCHEMBL16458931 0.90 MMP2 (0.86) KDRMAPK1HTTSMN1; SMN2POLB
SCHEMBL27840487 0.89 MAPK1 (0.73) KDRMAPK1HTTSMN1; SMN2POLB
SCHEMBL24993422 0.87 SMN1; SMN2 (0.67) KDRMAPK1HTTSMN1; SMN2POLB
SCHEMBL30173489 0.87 SMN1; SMN2 (0.67) KDRMAPK1HTTSMN1; SMN2POLB
SCHEMBL24993423 0.84 ACHE (0.76) KDRMAPK1HTTSMN1; SMN2POLB
SCHEMBL30772149 0.81 ACHE (0.66) KDRMAPK1HTTSMN1; SMN2POLB
SCHEMBL15401793 0.81 ADORA3 (0.55) KDRMAPK1HTTSMN1; SMN2POLB
SCHEMBL24993421 0.79 MMP2 (0.80) KDRMAPK1HTTSMN1; SMN2POLB

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
EP-2682121-B1 PHARMACEUTICAL USE OF AMINOTHIAZOLE MYD88 SPECIFICITY INHIBITOR WUHAN INNAMUNE PHARMACEUTICAL CO LTD (CN) 2018-03-14 EP claimed
EP-2682121-A1 PHARMACEUTICAL USE OF AMINOTHIAZOLE MYD88 SPECIFICITY INHIBITOR Tongji Hospital Tongji Medical College Huazhong University of Science and Technology (CN) 2014-01-08 EP claimed
EP-2682121-B1 PHARMACEUTICAL USE OF AMINOTHIAZOLE MYD88 SPECIFICITY INHIBITOR WUHAN INNAMUNE PHARMACEUTICAL CO LTD (CN) 2018-03-14 EP disclosed
EP-2682121-B1 PHARMACEUTICAL USE OF AMINOTHIAZOLE MYD88 SPECIFICITY INHIBITOR WUHAN INNAMUNE PHARMACEUTICAL CO LTD (CN) 2018-03-14 EP disclosed
US-9771340-B2 2-aminothiazole derivatives and methods of preparing and using the same WUHAN INNAMUNE PHARMACEUTICAL CO., LTD. (CN) 2017-09-26 US disclosed
EP-2682390-A1 2-AMINOTHIAZOLE DERIVATIVE, PREPARATION METHOD, AND USE Huazhong University of Science and Technology (CN) 2014-01-08 EP disclosed
EP-2682121-A1 PHARMACEUTICAL USE OF AMINOTHIAZOLE MYD88 SPECIFICITY INHIBITOR Tongji Hospital Tongji Medical College Huazhong University of Science and Technology (CN) 2014-01-08 EP disclosed
EP-2682121-A1 PHARMACEUTICAL USE OF AMINOTHIAZOLE MYD88 SPECIFICITY INHIBITOR Tongji Hospital Tongji Medical College Huazhong University of Science and Technology (CN) 2014-01-08 EP disclosed
US-20140004155-A1 2-AMINOTHIAZOLE DERIVATIVES AND METHODS OF PREPARING AND USING THE SAME HANGZHOU ZHONGMEI HUADONG PHARMACEUTICAL CO., LTD. (CN) 2014-01-02 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-20140004155-A1 2-AMINOTHIAZOLE DERIVATIVES AND METHODS OF PREPARING AND USING THE SAME CCNT1, CCNE1, CCNT2 KDR 4177/4885MAPK1 2273/4885HTT 1052/4885

“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.