SCHEMBL21911297

SCHEMBL21911297

CC(C)C(c1ccc(F)cc1)c1ccccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 6/20 0.43
SLC6A2 P23975 6/20 0.43
SLC6A4 P31645 6/20 0.43
TSHR P16473 3/20 0.39
ALDH1A1 P00352 2/20 0.39
HTR2C P28335 3/20 0.38
HTR7 P34969 1/20 0.38
CYP3A4 P08684 2/20 0.38
LMNA P02545 2/20 0.38
ADRA2A P08913 2/20 0.38
CYP2C9 P11712 2/20 0.38
ADRA1A P35348 2/20 0.38
OPRK1 P41145 2/20 0.38
HIF1A Q16665 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ABCB11 O95342 1/20 0.38
ESR1 P03372 1/20 0.38
PDE4A P27815 1/20 0.38
STAT6 P42226 1/20 0.38
GPR55 Q9Y2T6 1/20 0.38

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
SCHEMBL10441963 0.85 SLC6A2 (0.59) SLC6A3SLC6A2SLC6A4TSHRALDH1A1
SCHEMBL20385395 0.82 SLC6A3 (0.46) SLC6A3SLC6A2SLC6A4TSHRALDH1A1
SCHEMBL4150275 0.82 SLC6A3 (0.46) SLC6A3SLC6A2SLC6A4TSHRALDH1A1
SCHEMBL56844 0.82 SLC6A3 (0.46) SLC6A3SLC6A2SLC6A4TSHRALDH1A1
SCHEMBL10442252 0.81 SLC6A2 (0.50) SLC6A3SLC6A2SLC6A4TSHRALDH1A1
SCHEMBL21911294 0.79 APLNR (0.44) ESR1GPR55ATP1A1ATP1B1ATP1A3
SCHEMBL9695054 0.77 CYP3A4 (0.41) SLC6A3SLC6A2SLC6A4TSHRALDH1A1
SCHEMBL1381154 0.76 KCNA5 (0.55) SLC6A3SLC6A2SLC6A4GPR55KCNA5
SCHEMBL17069292 0.75 NPC1 (0.44) SLC6A4ALDH1A1CYP3A4LMNACYP2C9
SCHEMBL683626 0.75 NPC1 (0.44) SLC6A4ALDH1A1CYP3A4LMNACYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3814348-B9 SUBSTITUTED NAPHTHYRIDINONE COMPOUNDS USEFUL AS T CELL ACTIVATORS BRISTOL MYERS SQUIBB CO (US) 2023-11-01 EP disclosed
EP-3814348-B1 SUBSTITUTED NAPHTHYRIDINONE COMPOUNDS USEFUL AS T CELL ACTIVATORS BRISTOL MYERS SQUIBB CO (US) 2023-08-02 EP disclosed
US-11713316-B2 Substituted naphthyridinone compounds useful as T cell activators BRISTOL-MYERS SQUIBB COMPANY (US) 2023-08-01 US disclosed
US-11713316-B2 Substituted naphthyridinone compounds useful as T cell activators BRISTOL-MYERS SQUIBB COMPANY (US) 2023-08-01 US disclosed
US-11584747-B2 Substituted pyridopyrimidinonyl compounds useful as T cell activators SYNGENE INTERNATIONAL LIMITED (IN) 2023-02-21 US disclosed
WO-2021041588-A1 SUBSTITUTED PYRIDOPYRIMIDINONYL COMPOUNDS USEFUL AS T CELL ACTIVATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2021-03-04 WO disclosed
US-20210061802-A1 SUBSTITUTED PYRIDOPYRIMIDINONYL COMPOUNDS USEFUL AS T CELL ACTIVATORS SYNGENE INTERNATIONAL LIMITED (IN) 2021-03-04 US disclosed
US-20200109140-A1 SUBSTITUTED NAPHTHYRIDINONE COMPOUNDS USEFUL AS T CELL ACTIVATORS SYNGENE INTERNATIONAL LIMITED (IN) 2020-04-09 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 (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-11584747-B2 Substituted pyridopyrimidinonyl compounds useful as T cell activators DGKZ, DGKA, DGKG SLC6A3 4633/4885SLC6A2 4853/4885SLC6A4 4844/4885
US-20200109140-A1 SUBSTITUTED NAPHTHYRIDINONE COMPOUNDS USEFUL AS T CELL ACTIVATORS DGKZ, DGKA, DGKG SLC6A3 4255/4885SLC6A2 4722/4885SLC6A4 4836/4885
US-20210061802-A1 SUBSTITUTED PYRIDOPYRIMIDINONYL COMPOUNDS USEFUL AS T CELL ACTIVATORS DGKZ, DGKA, DGKG SLC6A3 4633/4885SLC6A2 4853/4885SLC6A4 4844/4885
US-11713316-B2 Substituted naphthyridinone compounds useful as T cell activators DGKZ, DGKA, DGKG SLC6A3 4255/4885SLC6A2 4722/4885SLC6A4 4836/4885

“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.