SCHEMBL16219152

SCHEMBL16219152

C=Cc1cn(Cc2cccc(Cl)c2)nn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.52
KDR P35968 3/20 0.47
JAK2 O60674 1/20 0.47
ROCK2 O75116 1/20 0.47
GSK3B P49841 1/20 0.47
AURKB Q96GD4 1/20 0.47
TEK Q02763 2/20 0.43
SIGMAR1 Q99720 1/20 0.42
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
CYP19A1 P11511 2/20 0.41
F2 P00734 1/20 0.41
IDO1 P14902 1/20 0.40
TDO2 P48775 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
NOTUM Q6P988 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL16401421 0.81 TYR (0.59) TYRKDRJAK2ROCK2GSK3B
SCHEMBL4316416 0.74 MEN1 (0.55) CYP19A1NPC1ALDH1A1SMN1; SMN2
SCHEMBL16216237 0.73 CYP19A1 (0.74) TYRKDRJAK2ROCK2GSK3B
SCHEMBL16218784 0.73 TYR (0.60) TYRKDRJAK2ROCK2GSK3B
SCHEMBL16219151 0.73 TYR (0.60) TYRKDRJAK2ROCK2GSK3B
SCHEMBL10660863 0.73 TYR (0.54) TYRKDRJAK2ROCK2GSK3B
SCHEMBL10666003 0.72 SCD (0.58) TYRKDRJAK2ROCK2GSK3B
SCHEMBL21557005 0.71 TYR (0.58) TYRCYP19A1NOTUM
SCHEMBL29820100 0.71 CYP19A1 (0.69) TYRSIGMAR1CYP11B1CYP11B2CYP19A1
SCHEMBL11119957 0.70 TYR (0.51) TYRKDRJAK2ROCK2GSK3B

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 1231/4885KDR 119/4885JAK2 4222/4885
US-20140328756-A1 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS FABP3, TNNI3, TNNT2 TYR 1231/4885KDR 119/4885JAK2 4222/4885
US-20200397927-A1 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS FABP3, TNNI3, TNNT2 TYR 1231/4885KDR 119/4885JAK2 4222/4885

“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.