SCHEMBL16875924

SCHEMBL16875924

Oc1ccc(Cn2cc(Br)cn2)cc1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 4/20 0.66
▸ KMT2A Q03164 2/20 0.66
▸ TSHR P16473 2/20 0.66
▸ MAPK1 P28482 1/20 0.66
▸ ALDH1A1 P00352 8/20 0.63
▸ LMNA P02545 6/20 0.63
▸ KDM4E B2RXH2 2/20 0.63
▸ HTT P42858 4/20 0.51
▸ SMN1; SMN2 Q16637 3/20 0.51
▸ PKM P14618 3/20 0.51
▸ GAA P10253 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ USP2 O75604 1/20 0.51
▸ POLB P06746 2/20 0.46
▸ MET P08581 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL753052 0.84 HSD17B10 (0.64) HSD17B10KMT2ATSHRMAPK1ALDH1A1
SCHEMBL671242 0.83 TSHR (0.63) HSD17B10KMT2ATSHRMAPK1ALDH1A1
SCHEMBL13737296 0.82 TSHR (0.57) HSD17B10KMT2ATSHRMAPK1ALDH1A1
SCHEMBL16876149 0.80 ALDH1A1 (0.74) HSD17B10KMT2ATSHRMAPK1ALDH1A1
SCHEMBL2902778 0.80 HSD17B10 (0.59) HSD17B10KMT2ATSHRMAPK1ALDH1A1
SCHEMBL24628398 0.80 KMT2A (0.59) HSD17B10KMT2ATSHRMAPK1ALDH1A1
SCHEMBL25561729 0.80 KMT2A (0.59) HSD17B10KMT2ATSHRMAPK1ALDH1A1
SCHEMBL510190 0.77 KMT2A (0.52) HSD17B10KMT2ATSHRMAPK1ALDH1A1
SCHEMBL21054803 0.76 HSD17B10 (0.55) HSD17B10KMT2ATSHRMAPK1ALDH1A1
SCHEMBL18097766 0.76 TSHR (0.55) HSD17B10KMT2ATSHRMAPK1ALDH1A1

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
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-9242984-B2 Pyrazolyl derivatives as Syk inhibitors MERCK SHARP & DOHME CORP. (US) 2016-01-26 — — US 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
US-20150191461-A1 PYRAZOLYL DERIVATIVES AS SYK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-07-09 — — 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 HSD17B10 3593/4885KMT2A 2456/4885TSHR 2059/4885

“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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