SCHEMBL6609562

SCHEMBL6609562

O=[N+]([O-])c1ccc(CN2CCOCC2)cc1F

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.59
MAPT P10636 3/20 0.59
KCNJ1 P48048 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
LMNA P02545 1/20 0.59
NPSR1 Q6W5P4 1/20 0.48
HRH3 Q9Y5N1 1/20 0.47
CTSB P07858 1/20 0.47
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
POLB P06746 2/20 0.46
NPC1 O15118 1/20 0.46
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
RAB9A P51151 1/20 0.46
KDM4E B2RXH2 1/20 0.45
ATM Q13315 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
NCF1 P14598 1/20 0.44

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
SCHEMBL29710198 1.00 ALDH1A1 (0.59) ALDH1A1MAPTKCNJ1SMN1; SMN2LMNA
SCHEMBL30061320 0.87 ALDH1A1 (0.64) ALDH1A1MAPTKCNJ1SMN1; SMN2LMNA
SCHEMBL546450 0.87 ALDH1A1 (0.64) ALDH1A1MAPTKCNJ1SMN1; SMN2LMNA
SCHEMBL5525074 0.87 ALDH1A1 (0.59) ALDH1A1MAPTSMN1; SMN2NPSR1HRH3
SCHEMBL4145422 0.86 POLB (0.56) ALDH1A1MAPTKCNJ1SMN1; SMN2LMNA
SCHEMBL571956 0.86 ALDH1A1 (0.62) ALDH1A1MAPTSMN1; SMN2NPSR1HRH3
SCHEMBL16054038 0.83 ALDH1A1 (0.59) ALDH1A1MAPTKCNJ1SMN1; SMN2LMNA
SCHEMBL14941460 0.83 ALDH1A1 (0.59) ALDH1A1MAPTKCNJ1SMN1; SMN2LMNA
SCHEMBL3114233 0.83 SMN1; SMN2 (0.56) ALDH1A1MAPTSMN1; SMN2LMNAPOLB
Hydrochloric Acid SCHEMBL4602780 0.82 KCNJ1 (0.47) ALDH1A1MAPTKCNJ1SMN1; SMN2LMNA

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220389009-A1 SUBSTITUTED 1,6-NAPHTHYRIDINE INHIBITORS OF CDK5 GFB (ABC), LLC 2022-12-08 US disclosed
US-20220389009-A1 SUBSTITUTED 1,6-NAPHTHYRIDINE INHIBITORS OF CDK5 GFB (ABC), LLC 2022-12-08 US disclosed
EP-4037683-A1 SUBSTITUTED 1, 6-NAPHTHYRIDINE INHIBITORS OF CDK5 Goldfinch Bio, Inc. (US) 2022-08-10 EP disclosed
CN-114761000-A Substituted 1, 6-naphthyridine inhibitors of CDK5 金翅雀生物公司 2022-07-15 CN disclosed
WO-2022011274-A1 SUBSTITUTED 1,6-NAPHTHYRIDINE INHIBITORS OF CDK5 GOLDFINCH BIO, INC. (US) 2022-01-13 WO disclosed
WO-2021067569-A1 SUBSTITUTED 1, 6-NAPHTHYRIDINE INHIBITORS OF CDK5 GOLDFINCH BIO, INC. (US) 2021-04-08 WO disclosed
EP-3205645-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2019-10-23 EP disclosed
US-9957251-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-05-01 US disclosed
EP-3205645-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2017-08-16 EP disclosed
US-20170044132-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-02-16 US disclosed
US-8674100-B2 Inhibitors of C-FMS kinase JANSSEN PHARMACEUTICA, N.V. (BE) 2014-03-18 US disclosed
EP-2687516-A1 Inhibitors of C-FMS Kinase Janssen Pharmaceutica N.V. (BE) 2014-01-22 EP disclosed
WO-2007124318-A1 INHIBITORS OF C-FMS KINASE JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-01 WO disclosed
US-20070249649-A1 INHIBITORS OF C-FMS KINASE JANSSEN PHARMACEUTICA, N.V. (BE) 2007-10-25 US disclosed
US-20070249649-A1 INHIBITORS OF C-FMS KINASE JANSSEN PHARMACEUTICA, N.V. (BE) 2007-10-25 US disclosed
EP-1456208-A1 PYRIDOQUINOXALINE ANTIVIRALS PHARMACIA & UPJOHN COMPANY (US) 2004-09-15 EP disclosed
US-20040106596-A1 Pyridoquinoxaline antivirals PERRAULT WILLIAM R (US) 2004-06-03 US disclosed
US-6686356-B2 HERPES VIRUS PHARMACIA & UPJOHN COMPANY 2004-02-03 US disclosed
US-20030130255-A1 PYRIDOQUINOXALINE ANTIVIRALS PHARMACIA & UPJOHN COMPANY 2003-07-10 US disclosed
WO-2003053972-A1 PYRIDOQUINOXALINE ANTIVIRALS PHARMACIA & UPJOHN COMPANY (US) 2003-07-03 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 (5 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-20040106596-A1 Pyridoquinoxaline antivirals IFNAR1, ZC3HAV1, SARS1 ALDH1A1 803/4885MAPT 4339/4885KCNJ1 992/4885
US-20070249649-A1 INHIBITORS OF C-FMS KINASE FES, MUSK, FRK ALDH1A1 4832/4885MAPT 172/4885KCNJ1 1666/4885
US-20030130255-A1 PYRIDOQUINOXALINE ANTIVIRALS IFNAR1, ZC3HAV1, SARS1 ALDH1A1 803/4885MAPT 4339/4885KCNJ1 992/4885
US-20220389009-A1 SUBSTITUTED 1,6-NAPHTHYRIDINE INHIBITORS OF CDK5 CDK5, CDK5R1, PKD1 ALDH1A1 2375/4885MAPT 621/4885KCNJ1 2747/4885
US-20170044132-A1 HETEROCYCLIC COMPOUND CDK19, CDK9, CDK8 ALDH1A1 3859/4885MAPT 2330/4885KCNJ1 2247/4885

“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.