SCHEMBL2369536

SCHEMBL2369536

O=S(=O)(c1ccccc1)n1ccc2c(O)cnc(Cl)c21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 14/20 0.51
▸ CYP2C19 P33261 1/20 0.45
▸ MET P08581 1/20 0.42
▸ MEN1 O00255 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ DRD2 P14416 2/20 0.40
▸ HTR2A P28223 2/20 0.40
▸ PKM P14618 1/20 0.39
▸ PIK3C3 Q8NEB9 2/20 0.39
▸ SRC P12931 1/20 0.38
▸ HTR1A P08908 2/20 0.38
▸ HTR7 P34969 2/20 0.38
▸ HTR1D P28221 1/20 0.38
▸ HTR1B P28222 1/20 0.38
▸ HTR1F P30939 1/20 0.38

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
SCHEMBL31279422 0.84 HTR6 (0.42) HTR6CYP2C19METMEN1ALDH1A1
SCHEMBL14321207 0.84 HTR6 (0.42) HTR6CYP2C19METMEN1ALDH1A1
SCHEMBL23462051 0.79 HTR6 (0.47) HTR6CYP2C19METMEN1ALDH1A1
SCHEMBL14059915 0.73 CYP2C19 (0.55) HTR6CYP2C19METMEN1ALDH1A1
SCHEMBL23461842 0.73 HTR6 (0.43) HTR6CYP2C19METMEN1ALDH1A1
SCHEMBL2370181 0.73 HTR6 (0.42) HTR6CYP2C19MEN1ALDH1A1LMNA
SCHEMBL2128761 0.71 ABL1 (0.45) HTR6ALDH1A1HTTPKM
SCHEMBL414843 0.70 CYP2C19 (0.58) HTR6CYP2C19METMEN1ALDH1A1
SCHEMBL7214133 0.70 HTR6 (0.58) HTR6CYP2C19METMEN1ALDH1A1
SCHEMBL29959107 0.70 CYP2C19 (0.58) HTR6CYP2C19METMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120329826-A1 SUBSTITUTED-5-AMINOPYRROLO/PYRAZOLOPYRIDINES OSI Pharmaceuticals,. LLC 2012-12-27 — — US disclosed
WO-2011109593-A1 SUBSTITUTED-5-AMINOPYRROLO/PYRAZOLOPYRIDINES OSI Pharmaceuticals, LLC (US) 2011-09-09 — — 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-20120329826-A1 SUBSTITUTED-5-AMINOPYRROLO/PYRAZOLOPYRIDINES MET, KRAS, VHL HTR6 834/4885CYP2C19 121/4885MET 1/4885

“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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