SCHEMBL16219151

SCHEMBL16219151

OCCc1cn(Cc2cccc(Cl)c2)nn1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.60
NOTUM Q6P988 1/20 0.55
CYP19A1 P11511 5/20 0.54
KCNMA1 Q12791 1/20 0.49
HSP90AB1 P08238 1/20 0.49
HDAC1 Q13547 2/20 0.47
JAK2 O60674 1/20 0.46
ROCK2 O75116 1/20 0.46
KDR P35968 1/20 0.46
GSK3B P49841 1/20 0.46
AURKB Q96GD4 1/20 0.46
HRH4 Q9H3N8 1/20 0.46

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
SCHEMBL16216237 0.86 CYP19A1 (0.74) TYRNOTUMCYP19A1HSP90AB1JAK2
SCHEMBL16218784 0.86 TYR (0.60) TYRNOTUMCYP19A1KCNMA1HSP90AB1
SCHEMBL21557005 0.84 TYR (0.58) TYRNOTUMCYP19A1HSP90AB1HDAC1
SCHEMBL16401421 0.80 TYR (0.59) TYRNOTUMCYP19A1KCNMA1JAK2
SCHEMBL16831504 0.77 CYP19A1 (0.69) NOTUMCYP19A1HSP90AB1HDAC1HRH4
SCHEMBL9969547 0.77 HDAC1 (0.61) NOTUMCYP19A1HDAC1
SCHEMBL19941362 0.77 NOTUM (0.56) NOTUMCYP19A1HSP90AB1HDAC1
SCHEMBL15796292 0.75 CYP19A1 (0.72) NOTUMCYP19A1HSP90AB1HDAC1HRH4
SCHEMBL10660863 0.75 TYR (0.54) TYRCYP19A1HDAC1JAK2ROCK2
SCHEMBL15795903 0.74 CYP19A1 (0.74) CYP19A1HSP90AB1HDAC1HRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200397927-A1 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS LANTHEUS MEDICAL IMAGING, INC. (US) 2020-12-24 US disclosed
US-20170266326-A1 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS LANTHEUS MEDICAL IMAGING, INC. (US) 2017-09-21 US disclosed
US-9550000-B2 Compositions, methods, and systems for the synthesis and use of imaging agents LANTHEUS MEDICAL IMAGING, INC. (US) 2017-01-24 US disclosed
US-20140328756-A1 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS LANTHEUS MEDICAL IMAGING, INC. (US) 2014-11-06 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 (3 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-20170266326-A1 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS FABP3, TNNI3, TNNT2 TYR 1231/4885NOTUM 2096/4885CYP19A1 2566/4885
US-20140328756-A1 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS FABP3, TNNI3, TNNT2 TYR 1231/4885NOTUM 2096/4885CYP19A1 2566/4885
US-20200397927-A1 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS FABP3, TNNI3, TNNT2 TYR 1231/4885NOTUM 2096/4885CYP19A1 2566/4885

“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.