SCHEMBL683626

SCHEMBL683626

CC(C)C(c1ccccc1)c1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.44
EPHX1 P07099 1/20 0.42
ALDH1A1 P00352 3/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
LMNA P02545 2/20 0.41
HTT P42858 2/20 0.41
MITF O75030 1/20 0.41
MAPT P10636 1/20 0.41
USP2 O75604 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TAAR1 Q96RJ0 1/20 0.39
NFE2L2 Q16236 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
SCHEMBL17069292 1.00 NPC1 (0.44) NPC1EPHX1ALDH1A1KMT2AMEN1
SCHEMBL17069287 1.00 NPC1 (0.44) NPC1EPHX1ALDH1A1KMT2AMEN1
SCHEMBL10157213 0.91 IDO1 (0.42) ALDH1A1HTTSLC6A4
SCHEMBL15586 0.85 TAAR1 (0.48) ALDH1A1KDM4ECYP2D6LMNATAAR1
SCHEMBL21910184 0.84 AOC3 (0.41) NFE2L2
SCHEMBL23126382 0.83 IDO1 (0.47) NPC1TAAR1
SCHEMBL8326598 0.83 NPC1 (0.42) NPC1EPHX1ALDH1A1KMT2AMEN1
SCHEMBL12789806 0.82 ACHE (0.59) ALDH1A1KMT2AMEN1LMNASMN1; SMN2
SCHEMBL17071841 0.81 NPC1 (0.47) NPC1EPHX1ALDH1A1KMT2AMEN1
SCHEMBL12846949 0.81 NPC1 (0.47) NPC1EPHX1ALDH1A1KMT2AMEN1

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 13 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-11584747-B2 Substituted pyridopyrimidinonyl compounds useful as T cell activators SYNGENE INTERNATIONAL LIMITED (IN) 2023-02-21 US disclosed
US-10954238-B1 Substituted naphthyridinone compounds useful as T cell activators BRISTOL-MYERS SQUIBB COMPANY (US) 2021-03-23 US disclosed
US-20210061802-A1 SUBSTITUTED PYRIDOPYRIMIDINONYL COMPOUNDS USEFUL AS T CELL ACTIVATORS SYNGENE INTERNATIONAL LIMITED (IN) 2021-03-04 US disclosed
WO-2021041588-A1 SUBSTITUTED PYRIDOPYRIMIDINONYL COMPOUNDS USEFUL AS T CELL ACTIVATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2021-03-04 WO disclosed
US-10669272-B2 Substituted naphthyridinone compounds useful as T cell activators BRISTOL-MYERS SQUIBB COMPANY (US) 2020-06-02 US disclosed
US-20200109140-A1 SUBSTITUTED NAPHTHYRIDINONE COMPOUNDS USEFUL AS T CELL ACTIVATORS SYNGENE INTERNATIONAL LIMITED (IN) 2020-04-09 US disclosed
US-20110269717-A1 NEUROGENESIS BY MODULATING ANGIOTENSIN BRAINCELLS INC. (US) 2011-11-03 US disclosed
US-20110269717-A1 NEUROGENESIS BY MODULATING ANGIOTENSIN BRAINCELLS INC. (US) 2011-11-03 US disclosed
US-20110065671-A1 BICYCLIC HETEROCYCLE DERIVATIVES AND USE THEREOF AS GPR119 MODULATORS MERCK SHARP & DOHME CORP. 2011-03-17 US disclosed
US-20110065671-A1 BICYCLIC HETEROCYCLE DERIVATIVES AND USE THEREOF AS GPR119 MODULATORS MERCK SHARP & DOHME CORP. 2011-03-17 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 (8 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 NPC1 4310/4885EPHX1 2433/4885ALDH1A1 4233/4885
US-20200109140-A1 SUBSTITUTED NAPHTHYRIDINONE COMPOUNDS USEFUL AS T CELL ACTIVATORS DGKZ, DGKA, DGKG NPC1 2494/4885EPHX1 2666/4885ALDH1A1 3814/4885
US-20210061802-A1 SUBSTITUTED PYRIDOPYRIMIDINONYL COMPOUNDS USEFUL AS T CELL ACTIVATORS DGKZ, DGKA, DGKG NPC1 4310/4885EPHX1 2433/4885ALDH1A1 4233/4885
US-20110065671-A1 BICYCLIC HETEROCYCLE DERIVATIVES AND USE THEREOF AS GPR119 MODULATORS GPR119, GPR39, GPR65 NPC1 637/4885EPHX1 1275/4885ALDH1A1 833/4885
US-11713316-B2 Substituted naphthyridinone compounds useful as T cell activators DGKZ, DGKA, DGKG NPC1 2494/4885EPHX1 2666/4885ALDH1A1 3814/4885
US-20110269717-A1 NEUROGENESIS BY MODULATING ANGIOTENSIN NGF, DCX, BDNF NPC1 2460/4885EPHX1 517/4885ALDH1A1 1565/4885
US-10669272-B2 Substituted naphthyridinone compounds useful as T cell activators DGKZ, DGKA, DGKG NPC1 2494/4885EPHX1 2666/4885ALDH1A1 3814/4885
US-10954238-B1 Substituted naphthyridinone compounds useful as T cell activators DGKZ, DGKA, DGKG NPC1 2494/4885EPHX1 2666/4885ALDH1A1 3814/4885

“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.