SCHEMBL16216237

SCHEMBL16216237

CCCc1cn(Cc2cccc(Cl)c2)nn1

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 9/20 0.74
TYR P14679 1/20 0.60
HSP90AB1 P08238 1/20 0.49
NOTUM Q6P988 1/20 0.48
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
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
TTBK1 Q5TCY1 1/20 0.46
TTBK2 Q6IQ55 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
SCHEMBL16218784 0.86 TYR (0.60) CYP19A1TYRHSP90AB1NOTUMJAK2
SCHEMBL16219151 0.86 TYR (0.60) CYP19A1TYRHSP90AB1NOTUMJAK2
SCHEMBL2641384 0.85 CYP19A1 (1.00) CYP19A1HSP90AB1MAOAMAOB
SCHEMBL21557005 0.84 TYR (0.58) CYP19A1TYRHSP90AB1NOTUM
SCHEMBL16401421 0.80 TYR (0.59) CYP19A1TYRNOTUMJAK2ROCK2
Acetic Acid SCHEMBL28328685 0.79 CYP19A1 (0.86) CYP19A1HSP90AB1MAOAMAOB
SCHEMBL28533317 0.75 CYP19A1 (0.97) CYP19A1HSP90AB1MAOAMAOB
SCHEMBL10044916 0.74 CYP19A1 (1.00) CYP19A1HSP90AB1MAOAMAOB
SCHEMBL2193998 0.74 CYP19A1 (1.00) CYP19A1HSP90AB1MAOAMAOB
SCHEMBL16219152 0.73 TYR (0.52) CYP19A1TYRNOTUMJAK2ROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20170266326-A1 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS FABP3, TNNI3, TNNT2 CYP19A1 2566/4885TYR 1231/4885HSP90AB1 1763/4885
US-20140328756-A1 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS FABP3, TNNI3, TNNT2 CYP19A1 2566/4885TYR 1231/4885HSP90AB1 1763/4885

“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.