SCHEMBL16876149

SCHEMBL16876149

NC(=O)c1ccc(Cn2cc(Br)cn2)cc1

nearest known ligand 0.74

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.74
▸ LMNA P02545 6/20 0.74
▸ KDM4E B2RXH2 3/20 0.74
▸ HTT P42858 3/20 0.57
▸ PKM P14618 3/20 0.57
▸ SMN1; SMN2 Q16637 2/20 0.57
▸ GAA P10253 1/20 0.57
▸ RAB9A P51151 1/20 0.57
▸ USP2 O75604 1/20 0.57
▸ HSD17B10 Q99714 3/20 0.56
▸ KMT2A Q03164 3/20 0.56
▸ TSHR P16473 2/20 0.56
▸ MAPK1 P28482 1/20 0.56
▸ MEN1 O00255 1/20 0.48
▸ POLB P06746 1/20 0.46
▸ KLKB1 P03952 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL14699299 0.83 LMNA (0.60) ALDH1A1LMNAKDM4EHTTPKM
SCHEMBL13736889 0.83 LMNA (0.61) ALDH1A1LMNAKDM4EHTTPKM
SCHEMBL16875924 0.80 HSD17B10 (0.66) ALDH1A1LMNAKDM4EHTTPKM
SCHEMBL31591076 0.77 KLKB1 (0.51) ALDH1A1LMNAKDM4EHSD17B10POLB
SCHEMBL17696410 0.76 KLKB1 (0.55) ALDH1A1LMNAKDM4EHSD17B10POLB
SCHEMBL753052 0.76 HSD17B10 (0.64) ALDH1A1LMNAKDM4EHTTPKM
SCHEMBL671242 0.75 TSHR (0.63) ALDH1A1LMNAKDM4EHTTPKM
SCHEMBL15964732 0.75 KLKB1 (0.60) ALDH1A1LMNAKDM4EHSD17B10POLB
SCHEMBL15154996 0.74 LMNA (0.61) ALDH1A1LMNAKDM4EHTTPKM
SCHEMBL12443573 0.73 KMT2A (0.79) ALDH1A1LMNAKDM4EHTTPKM

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 ALDH1A1 2112/4885LMNA 4850/4885KDM4E 1293/4885

“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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