SCHEMBL16876331

SCHEMBL16876331

COC(=O)C1CC(n2cc(Br)cn2)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM5A P29375 1/20 0.38
▸ CDK5 Q00535 1/20 0.37
▸ CDK5R1 Q15078 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ ELANE P08246 2/20 0.36
▸ F2 P00734 1/20 0.36
▸ PLAU P00749 1/20 0.36
▸ KLKB1 P03952 1/20 0.36
▸ CHRNB2 P17787 2/20 0.36
▸ CHRNA4 P43681 2/20 0.36
▸ CHRNB4 P30926 1/20 0.36
▸ CHRNA3 P32297 1/20 0.36
▸ CHRNA7 P36544 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ SLC6A2 P23975 3/20 0.34
▸ SLC6A4 P31645 3/20 0.34
▸ SLC6A3 Q01959 3/20 0.34
▸ LATS1 O95835 1/20 0.34

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
SCHEMBL22228075 0.87 SMN1; SMN2 (0.41) KDM5AALDH1A1HTTSMN1; SMN2ELANE
SCHEMBL22228077 0.87 SMN1; SMN2 (0.41) KDM5AALDH1A1HTTSMN1; SMN2ELANE
SCHEMBL22749603 0.79 XDH (0.41) KDM5ASMN1; SMN2ELANEF2PLAU
SCHEMBL22765776 0.79 XDH (0.41) KDM5ASMN1; SMN2ELANEF2PLAU
SCHEMBL30955825 0.78 MAPT (0.45) ALDH1A1SMN1; SMN2ELANEF2PLAU
SCHEMBL26601146 0.78 SMYD3 (0.37) KDM5AELANEF2PLAUKLKB1
SCHEMBL26601141 0.78 SMYD3 (0.37) KDM5AELANEF2PLAUKLKB1
SCHEMBL31131923 0.76 KDM5A (0.34) KDM5AELANEF2PLAUKLKB1
SCHEMBL25298717 0.76 KDM5A (0.41) KDM5ASLC6A2SLC6A4SLC6A3
SCHEMBL25249721 0.76 KDM5A (0.39) KDM5AALDH1A1HTTSMN1; SMN2ELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2863914-B1 PYRAZOLYL DERIVATIVES AS SYK INHIBITORS MERCK SHARP & DOHME (US) 2018-10-03 — — EP disclosed
US-9242984-B2 Pyrazolyl derivatives as Syk inhibitors MERCK SHARP & DOHME CORP. (US) 2016-01-26 — — US disclosed
US-20150191461-A1 PYRAZOLYL DERIVATIVES AS SYK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-07-09 — — 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-20150191461-A1 PYRAZOLYL DERIVATIVES AS SYK INHIBITORS SYK, BTK, LCK KDM5A 773/4885CDK5 2028/4885CDK5R1 1618/4885

“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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