SCHEMBL13977955

SCHEMBL13977955

ClCn1cc(-c2ccccc2)nn1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.71
NPC1 O15118 2/20 0.61
RAB9A P51151 2/20 0.61
TEK Q02763 2/20 0.55
EPHB4 P54760 2/20 0.55
MEN1 O00255 1/20 0.55
CASP3 P42574 1/20 0.55
KMT2A Q03164 1/20 0.55
SENP8 Q96LD8 1/20 0.55
SENP7 Q9BQF6 1/20 0.55
SENP6 Q9GZR1 1/20 0.55
KDR P35968 3/20 0.54
PTGS2 P35354 2/20 0.54
GGPS1 O95749 1/20 0.50
HDAC8 Q9BY41 5/20 0.49
HDAC6 Q9UBN7 4/20 0.49
HDAC3 O15379 3/20 0.49
HDAC4 P56524 3/20 0.49
HDAC1 Q13547 3/20 0.49
HDAC7 Q8WUI4 3/20 0.49

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
SCHEMBL16206235 0.84 CYP19A1 (0.70) CYP19A1NPC1RAB9ATEKEPHB4
SCHEMBL935182 0.83 CYP19A1 (1.00) CYP19A1NPC1RAB9ATEKEPHB4
SCHEMBL15589760 0.81 CYP19A1 (0.62) CYP19A1NPC1RAB9APTGS2HDAC8
SCHEMBL15108602 0.81 CYP19A1 (0.66) CYP19A1NPC1RAB9ATEKEPHB4
SCHEMBL3777940 0.81 CYP19A1 (0.66) CYP19A1NPC1RAB9ATEKEPHB4
SCHEMBL19622150 0.81 CYP19A1 (0.66) CYP19A1NPC1RAB9ATEKEPHB4
SCHEMBL18625821 0.80 CYP19A1 (0.60) CYP19A1NPC1RAB9ATEKEPHB4
SCHEMBL16206204 0.80 CYP19A1 (0.79) CYP19A1NPC1RAB9ATEKEPHB4
SCHEMBL15836586 0.79 CYP19A1 (0.93) CYP19A1NPC1RAB9ATEKEPHB4
Bromide SCHEMBL1887515 0.79 CYP19A1 (0.64) CYP19A1NPC1RAB9ATEKEPHB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160263258-A1 Radiotracer introduced [18F]fluoromethyl group targeting neuroinflammation for PET imaging and Synthesis of Radiotracer and its biological evaluation Method for Radiotracer BIO IMAGING KOREA CO., LTD. 2016-09-15 US claimed
CN-105530961-A [18f]fluoromethyl group-introduced radiotracer for positron emission tomography for targeting brain neuroinflammation, synthesis thereof, and method for evaluating biological results using same BIO IMAGING KOREA CO LTD 2016-04-27 CN claimed
US-9505799-B2 18F-labeled precursor of PET radioactive medical supplies, and preparation method thereof FUTURECHEM CO., LTD. (KR) 2016-11-29 US disclosed
US-9505799-B2 18F-labeled precursor of PET radioactive medical supplies, and preparation method thereof FUTURECHEM CO., LTD. (KR) 2016-11-29 US disclosed
US-9505799-B2 18F-labeled precursor of PET radioactive medical supplies, and preparation method thereof FUTURECHEM CO., LTD. (KR) 2016-11-29 US disclosed
US-20160263258-A1 Radiotracer introduced [18F]fluoromethyl group targeting neuroinflammation for PET imaging and Synthesis of Radiotracer and its biological evaluation Method for Radiotracer BIO IMAGING KOREA CO., LTD. 2016-09-15 US disclosed
CN-103608337-B 18F-labeled precursor of PET radioactive medical supplies and preparation method thereof FUTURECHEM株式会社 2016-07-06 CN disclosed
CN-105530961-A [18f]fluoromethyl group-introduced radiotracer for positron emission tomography for targeting brain neuroinflammation, synthesis thereof, and method for evaluating biological results using same BIO IMAGING KOREA CO LTD 2016-04-27 CN disclosed
WO-2015037774-A1 [18F]FLUOROMETHYL GROUP-INTRODUCED RADIOTRACER FOR POSITRON EMISSION TOMOGRAPHY FOR TARGETING BRAIN NEUROINFLAMMATION, SYNTHESIS THEREOF, AND METHOD FOR EVALUATING BIOLOGICAL RESULTS USING SAME 주식회사 바이오이미징코리아 (KR) 2015-03-19 WO disclosed
US-20140194620-A1 18F-LABELED PRECURSOR OF PET RADIOACTIVE MEDICAL SUPPLIES, AND PREPARATION METHOD THEREOF FUTURECHEM CO., LTD. (KR) 2014-07-10 US disclosed
US-20140194620-A1 18F-LABELED PRECURSOR OF PET RADIOACTIVE MEDICAL SUPPLIES, AND PREPARATION METHOD THEREOF FUTURECHEM CO., LTD. (KR) 2014-07-10 US disclosed
US-20140194620-A1 18F-LABELED PRECURSOR OF PET RADIOACTIVE MEDICAL SUPPLIES, AND PREPARATION METHOD THEREOF FUTURECHEM CO., LTD. (KR) 2014-07-10 US disclosed
CN-103608337-A Of PET radioactive medical articles18F-labelled precursor and process for its preparation UNIV SOGANG IND UNIV COOP FOUN 2014-02-26 CN disclosed
WO-2012157900-A2 18F-LABELED PRECURSOR OF PET RADIOACTIVE MEDICAL SUPPLIES, AND PREPARATION METHOD THEREOF 서강대학교산학협력단 (KR) 2012-11-22 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 (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-20160263258-A1 Radiotracer introduced [18F]fluoromethyl group targeting neuroinflammation for PET imaging and Synthesis of Radiotracer and its biological evaluation Method for Radiotracer TSPO, TLR8, GPR68 CYP19A1 3087/4885NPC1 1597/4885RAB9A 683/4885
US-20140194620-A1 18F-LABELED PRECURSOR OF PET RADIOACTIVE MEDICAL SUPPLIES, AND PREPARATION METHOD THEREOF SLC43A1, SLC7A5, SLC35B2 CYP19A1 1071/4885NPC1 1446/4885RAB9A 1628/4885

“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.