SCHEMBL3601052

SCHEMBL3601052

FC(F)(F)c1cccc(Nc2ncc(Br)cn2)c1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.67
HDAC1 Q13547 1/20 0.67
HDAC2 Q92769 1/20 0.67
HDAC6 Q9UBN7 1/20 0.67
IDH2 P48735 3/20 0.60
KIF11 P52732 1/20 0.59
AURKA O14965 2/20 0.57
CTSC P53634 5/20 0.56
KDM4E B2RXH2 1/20 0.56
LMNA P02545 2/20 0.54
MAPT P10636 2/20 0.54
MAPK1 P28482 1/20 0.54
BTK Q06187 1/20 0.52
APP P05067 1/20 0.50
THRB P10828 1/20 0.50

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
SCHEMBL30313912 1.00 HDAC3 (0.67) HDAC3HDAC1HDAC2HDAC6IDH2
SCHEMBL14378926 0.84 IDH2 (0.63) HDAC3HDAC1HDAC2HDAC6IDH2
SCHEMBL6663767 0.83 AURKA (0.72) HDAC3HDAC1HDAC2HDAC6IDH2
SCHEMBL31501743 0.83 AURKA (0.72) HDAC3HDAC1HDAC2HDAC6IDH2
SCHEMBL4140858 0.81 CTSC (0.67) HDAC3HDAC1HDAC2HDAC6IDH2
SCHEMBL4730181 0.80 HDAC6 (1.00) HDAC3HDAC1HDAC2HDAC6BTK
SCHEMBL22452591 0.80 KCNH2 (0.44) HDAC3HDAC1HDAC2HDAC6AURKA
SCHEMBL3600773 0.80 HDAC3 (0.61) HDAC3HDAC1HDAC2HDAC6IDH2
SCHEMBL3600005 0.80 HDAC3 (0.61) HDAC3HDAC1HDAC2HDAC6IDH2
SCHEMBL180866 0.79 KDR (0.54) AURKAKDM4EMAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130059871-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF AMYLOID-RELATED DISEASES HORWELL DAVID CHRISTOPHER (GB) 2013-03-07 US claimed
US-20100063077-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF AMYLOID-RELATED DISEASES SENEXIS LIMITED (GB) 2010-03-11 US claimed
EP-2010502-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF AMYLOID-RELATED DISEASES Senexis Limited (GB) 2009-01-07 EP claimed
WO-2007125351-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF AMYLOID-RELATED DISEASES SENEXIS LIMITED (GB) 2007-11-08 WO claimed
CN-111278818-B BTK inhibitor compounds 伊莱利利公司 2023-03-28 CN disclosed
US-11542249-B2 BTK inhibitor compounds ELI LILLY AND COMPANY (US) 2023-01-03 US disclosed
US-11542249-B2 BTK inhibitor compounds ELI LILLY AND COMPANY (US) 2023-01-03 US disclosed
EP-3707133-B1 BTK INHIBITOR COMPOUNDS LILLY CO ELI (US) 2021-12-15 EP disclosed
US-20200290997-A1 BTK INHIBITOR COMPOUNDS ELI LILLY AND COMPANY 2020-09-17 US disclosed
US-20200290997-A1 BTK INHIBITOR COMPOUNDS ELI LILLY AND COMPANY 2020-09-17 US disclosed
EP-3707133-A1 BTK INHIBITOR COMPOUNDS Eli Lilly and Company (US) 2020-09-16 EP disclosed
CN-111278818-A BTK inhibitor compounds 伊莱利利公司 2020-06-12 CN disclosed
US-20130059871-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF AMYLOID-RELATED DISEASES HORWELL DAVID CHRISTOPHER (GB) 2013-03-07 US disclosed
US-20130059871-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF AMYLOID-RELATED DISEASES HORWELL DAVID CHRISTOPHER (GB) 2013-03-07 US disclosed
US-20130059871-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF AMYLOID-RELATED DISEASES HORWELL DAVID CHRISTOPHER (GB) 2013-03-07 US disclosed
US-20100063077-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF AMYLOID-RELATED DISEASES SENEXIS LIMITED (GB) 2010-03-11 US disclosed
US-20100063077-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF AMYLOID-RELATED DISEASES SENEXIS LIMITED (GB) 2010-03-11 US disclosed
US-20100063077-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF AMYLOID-RELATED DISEASES SENEXIS LIMITED (GB) 2010-03-11 US disclosed
EP-2010502-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF AMYLOID-RELATED DISEASES Senexis Limited (GB) 2009-01-07 EP disclosed
WO-2007125351-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF AMYLOID-RELATED DISEASES SENEXIS LIMITED (GB) 2007-11-08 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 (4 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-20100063077-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF AMYLOID-RELATED DISEASES TYMP, APP, HTT HDAC3 4697/4885HDAC1 4706/4885HDAC2 4224/4885
US-20130059871-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF AMYLOID-RELATED DISEASES TYMP, APP, HTT HDAC3 4697/4885HDAC1 4706/4885HDAC2 4224/4885
US-20200290997-A1 BTK INHIBITOR COMPOUNDS BTK, SYK, LCK HDAC3 1614/4885HDAC1 1748/4885HDAC2 833/4885
US-11542249-B2 BTK inhibitor compounds BTK, SYK, LCK HDAC3 1840/4885HDAC1 1715/4885HDAC2 738/4885

“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.