SCHEMBL18130728

SCHEMBL18130728

COC(=O)c1c(F)cc(C(C)(C)C)cc1Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 2/20 0.40
▸ SOS1 Q07889 1/20 0.38
▸ PTPN2 P17706 1/20 0.36
▸ LMNA P02545 3/20 0.35
▸ TSHR P16473 2/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ GAA P10253 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ CA12 O43570 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA7 P43166 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ CA14 Q9ULX7 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ POLB P06746 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ ACHE P22303 1/20 0.33

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
SCHEMBL13763261 0.88 CA1 (0.39) NOTUMLMNAGAAALDH1A1CA12
SCHEMBL21695140 0.88 NOTUM (0.41) NOTUMSOS1LMNATSHRGAA
SCHEMBL26121538 0.87 NOTUM (0.54) NOTUMSOS1PTPN2LMNATSHR
SCHEMBL17781586 0.83 CYP3A4 (0.46) NOTUMLMNATSHRGAAALDH1A1
SCHEMBL18130729 0.81 GLRA3 (0.39) TSHRALDH1A1MAPK1SMN1; SMN2MAPT
SCHEMBL18130724 0.80 DGAT1 (0.36) TSHRGAAALDH1A1POLBCYP3A4
SCHEMBL18130712 0.80 HIF1A (0.35) TSHRNPSR1GAAALDH1A1MAPK1
SCHEMBL20231924 0.80 HTT (0.40) NOTUMSOS1LMNATSHRNPSR1
SCHEMBL25280044 0.77 LMNA (0.40) NOTUMSOS1LMNATSHRNPSR1
SCHEMBL15727758 0.77 LMNA (0.40) NOTUMSOS1LMNATSHRNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3280419-B1 INDAZOLE AND AZAINDAZOLE BTK INHIBITORS MERCK SHARP & DOHME (US) 2019-10-30 — — EP disclosed
US-10246457-B2 Indazole and azaindazole Btk inhibitors MERCK SHARP & DOHME CORP. (US) 2019-04-02 — — US disclosed
US-20180127411-A1 INDAZOLE AND AZAINDAZOLE BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-05-10 — — US disclosed
EP-3280419-A1 INDAZOLE AND AZAINDAZOLE BTK INHIBITORS Merck Sharp & Dohme Corp. (US) 2018-02-14 — — EP disclosed
WO-2016164285-A1 INDAZOLE AND AZAINDAZOLE BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-10-13 — — WO disclosed
WO-2016161571-A1 INDAZOLE AND AZAINDAZOLE BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-10-13 — — 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-20180127411-A1 INDAZOLE AND AZAINDAZOLE BTK INHIBITORS BTK, SYK, ABL1 NOTUM 2978/4885SOS1 2035/4885PTPN2 34/4885
US-10246457-B2 Indazole and azaindazole Btk inhibitors BTK, SYK, ABL1 NOTUM 2978/4885SOS1 2035/4885PTPN2 34/4885

“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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