SCHEMBL1551098

SCHEMBL1551098

CSc1ncc(OC(F)F)cn1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.32
RXRA P19793 5/20 0.31
GRIN1 Q05586 5/20 0.31
GRIN2B Q13224 5/20 0.31
HDAC4 P56524 1/20 0.31

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
SCHEMBL28944777 0.84
SCHEMBL12924638 0.81 LMNA (0.36) MEN1KMT2A
SCHEMBL17395038 0.76 ACACB (0.30)
SCHEMBL15933172 0.76 RXRA (0.35) KDM4ERXRAGRIN1GRIN2BHDAC4
SCHEMBL8354332 0.73 FGFR4 (0.38) MEN1KMT2AKDM4E
SCHEMBL22519659 0.72 KDM4E (0.41) MEN1KMT2AKDM4ERXRAGRIN1
SCHEMBL22428387 0.72 RXRA (0.33) KDM4ERXRAGRIN1GRIN2BHDAC4
SCHEMBL3965140 0.72 F2RL3 (0.32) RXRAGRIN1GRIN2B
SCHEMBL21275802 0.71 ROCK1 (0.41) MEN1KMT2AKDM4ERXRAGRIN1
SCHEMBL355741 0.71 RXRA (0.39) MEN1KMT2AKDM4ERXRAGRIN1

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
CN-118561817-A Novel heteroaryl-triazole compounds as pesticides 拜耳公司 2024-08-30 CN disclosed
CN-118496198-A Novel heteroaryl-triazole compounds as pesticides 拜耳公司 2024-08-16 CN disclosed
CN-114502545-B Novel heteroaryl-triazole compounds as pesticides 拜耳公司 2024-06-28 CN disclosed
CN-112204021-B Novel heteroaryl triazoles and heteroaryl tetrazoles as pesticides 拜耳公司 2024-05-28 CN disclosed
CN-114502545-A Novel heteroaryl-triazole compounds as pesticides 拜耳公司 2022-05-13 CN disclosed
CN-114423748-A Novel heteroaryl triazole compounds as pesticides 拜耳公司 2022-04-29 CN disclosed
CN-112204021-A Novel heteroaryltriazole and heteroaryltetrazole compounds as pesticides 拜耳公司 2021-01-08 CN disclosed
WO-2016001266-A1 FLUORO-[1,3]OXAZINES AS BACE1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2016-01-07 WO disclosed
US-20130131074-A1 PYRIDONE AND PYRIDAZONE ANALOGUES AS GPR119 MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2013-05-23 US disclosed
US-8372837-B2 Pyridone and pyridazone analogues as GPR119 modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2013-02-12 US disclosed
EP-2313395-B1 PYRIDONE AND PYRIDAZONE ANALOGUES AS GPR119 MODULATORS BRISTOL MYERS SQUIBB CO (US) 2012-12-19 EP disclosed
US-20110263548-A1 PYRIDONE AND PYRIDAZONE ANALOGUES AS GPR119 MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-27 US disclosed
EP-2313395-A1 PYRIDONE AND PYRIDAZONE ANALOGUES AS GPR119 MODULATORS Bristol-Myers Squibb Company (US) 2011-04-27 EP disclosed
WO-2010009183-A1 PYRIDONE AND PYRIDAZONE ANALOGUES AS GPR119 MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-01-21 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-20130131074-A1 PYRIDONE AND PYRIDAZONE ANALOGUES AS GPR119 MODULATORS GPR119, GPR4, GPR3 MEN1 2531/4885KMT2A 3211/4885KDM4E 3227/4885
US-20110263548-A1 PYRIDONE AND PYRIDAZONE ANALOGUES AS GPR119 MODULATORS GPR119, GPR4, GPR3 MEN1 2449/4885KMT2A 3266/4885KDM4E 3226/4885

“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.