SCHEMBL16834092

SCHEMBL16834092

CC1(C)Oc2c(Br)cc(N)cc2NC1=O

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ PDE3B Q13370 2/20 0.34
▸ PDE3A Q14432 2/20 0.34
▸ GAA P10253 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ BRD4 O60885 8/20 0.32
▸ POLB P06746 1/20 0.31
▸ HPGD P15428 1/20 0.31

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
SCHEMBL17594685 0.81 HTR6 (0.40) KDM4EALDH1A1SMN1; SMN2PDE3BPDE3A
SCHEMBL4677149 0.81 BRD4 (0.38) KDM4EALDH1A1SMN1; SMN2PDE3BPDE3A
SCHEMBL21695809 0.78 PDE3B (0.33) KDM4EALDH1A1SMN1; SMN2PDE3BPDE3A
SCHEMBL25130119 0.77 PDE3B (0.32) KDM4EALDH1A1SMN1; SMN2PDE3BPDE3A
SCHEMBL17200509 0.77 BRD4 (0.37) KDM4EALDH1A1SMN1; SMN2PDE3BPDE3A
SCHEMBL17213595 0.77 KDM4E (0.43) KDM4EALDH1A1SMN1; SMN2PDE3BPDE3A
SCHEMBL16834268 0.77 ALDH1A1 (0.41) KDM4EALDH1A1SMN1; SMN2PDE3BPDE3A
SCHEMBL17200464 0.75 BRD4 (0.38) KDM4EALDH1A1SMN1; SMN2PDE3BPDE3A
SCHEMBL4483899 0.73 PDK2 (0.38) KDM4EALDH1A1SMN1; SMN2PDE3BPDE3A
SCHEMBL30659408 0.73 PDK2 (0.38) KDM4EALDH1A1SMN1; SMN2PDE3BPDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3083559-B1 THIAZOLE-SUBSTITUTED AMINOHETEROARYLS AS SPLEEN TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME (US) 2021-03-10 — — EP disclosed
US-9822107-B2 Thiazole-substituted aminoheteroaryls as spleen tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-11-21 — — US disclosed
US-20160340351-A1 THIAZOLE-SUBSTITUTED AMINOHETEROARYLS AS SPLEEN TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME LLC 2016-11-24 — — US disclosed
EP-3083559-A1 THIAZOLE-SUBSTITUTED AMINOHETEROARYLS AS SPLEEN TYROSINE KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2016-10-26 — — EP disclosed
WO-2015095445-A1 THIAZOLE-SUBSTITUTED AMINOHETEROARYLS AS SPLEEN TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-06-25 — — 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 (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-20160340351-A1 THIAZOLE-SUBSTITUTED AMINOHETEROARYLS AS SPLEEN TYROSINE KINASE INHIBITORS SYK, BTK, TYRO3 KDM4E 1029/4885ALDH1A1 4010/4885SMN1; SMN2 4694/4885

“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.

Send feedback