SCHEMBL21393430

SCHEMBL21393430

Ic1ccnc2ccsc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 0.44
MKNK1 Q9BUB5 1/20 0.44
MKNK2 Q9HBH9 1/20 0.44
PDPK1 O15530 1/20 0.41
PARP1 P09874 1/20 0.41
ADORA2A P29274 7/20 0.36
ADORA1 P30542 7/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KDR P35968 6/20 0.35
HTR2C P28335 1/20 0.34
ADORA3 P0DMS8 4/20 0.33
ADORA2B P29275 4/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
SPR P35270 1/20 0.33

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
SCHEMBL29631094 1.00 AXL (0.44) AXLMKNK1MKNK2PDPK1PARP1
SCHEMBL29368189 0.74 AXL (0.44) AXLMKNK1MKNK2PDPK1PARP1
SCHEMBL29365402 0.74 AXL (0.53) AXLMKNK1MKNK2PDPK1PARP1
SCHEMBL105581 0.74 AXL (0.44) AXLMKNK1MKNK2PDPK1PARP1
SCHEMBL4037241 0.74 AXL (0.44) AXLMKNK1MKNK2PDPK1PARP1
SCHEMBL31324910 0.74 AXL (0.44) AXLMKNK1MKNK2PDPK1PARP1
SCHEMBL423202 0.74 AXL (0.44) AXLMKNK1MKNK2PDPK1PARP1
SCHEMBL29468124 0.74 AXL (0.44) AXLMKNK1MKNK2PDPK1PARP1
SCHEMBL2656577 0.74 AXL (0.44) AXLMKNK1MKNK2PDPK1PARP1
SCHEMBL104668 0.74 AXL (0.53) AXLMKNK1MKNK2PDPK1PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11466027-B2 Modulators of the NMDA receptor H. LUNDBECK A/S (DK) 2022-10-11 US disclosed
US-11466027-B2 Modulators of the NMDA receptor H. LUNDBECK A/S (DK) 2022-10-11 US disclosed
US-20220213117-A1 PRODRUGS OF MODULATORS OF THE NMDA RECEPTOR H. LUNDBECK A/S (DK) 2022-07-07 US disclosed
US-20220213117-A1 PRODRUGS OF MODULATORS OF THE NMDA RECEPTOR H. LUNDBECK A/S (DK) 2022-07-07 US disclosed
US-11358971-B2 Prodrugs of modulators of the NMDA receptor H. LUNDBECK A/S (DK) 2022-06-14 US disclosed
US-11358971-B2 Prodrugs of modulators of the NMDA receptor H. LUNDBECK A/S (DK) 2022-06-14 US disclosed
EP-3994141-A1 MODULATORS OF THE NMDA RECEPTOR H. Lundbeck A/S (DK) 2022-05-11 EP disclosed
EP-3994140-A1 PRODRUGS OF MODULATORS OF THE NMDA RECEPTOR H. Lundbeck A/S (DK) 2022-05-11 EP disclosed
WO-2022058920-A1 CASEIN KINASE 1 DELTA MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2022-03-24 WO disclosed
CN-114008054-A NMDA receptor modulators H.隆德贝克有限公司 2022-02-01 CN disclosed
US-20210047342-A1 PRODRUGS OF MODULATORS OF THE NMDA RECEPTOR H. LUNDBECK A/S (DK) 2021-02-18 US disclosed
US-20210047342-A1 PRODRUGS OF MODULATORS OF THE NMDA RECEPTOR H. LUNDBECK A/S (DK) 2021-02-18 US disclosed
WO-2021001423-A1 MODULATORS OF THE NMDA RECEPTOR H. LUNDBECK A/S (DK) 2021-01-07 WO disclosed
US-20210002292-A1 MODULATORS OF THE NMDA RECEPTOR H. LUNDBECK A/S (DK) 2021-01-07 US disclosed
US-20210002292-A1 MODULATORS OF THE NMDA RECEPTOR H. LUNDBECK A/S (DK) 2021-01-07 US disclosed
WO-2021001423-A1 MODULATORS OF THE NMDA RECEPTOR H. LUNDBECK A/S (DK) 2021-01-07 WO disclosed
WO-2021001420-A1 PRODRUGS OF MODULATORS OF THE NMDA RECEPTOR H. LUNDBECK A/S (DK) 2021-01-07 WO disclosed
WO-2021001420-A1 PRODRUGS OF MODULATORS OF THE NMDA RECEPTOR H. LUNDBECK A/S (DK) 2021-01-07 WO disclosed
EP-3686196-A1 POLYCYCLIC COMPOUND ACTING AS IDO INHIBITOR AND/OR IDO-HDAC DUAL INHIBITOR Hangzhou Innogate Pharma Co., Ltd. (CN) 2020-07-29 EP disclosed
WO-2019182274-A1 THIENOPYRIDINE DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING SAME WELLMARKER BIO CO., LTD. (KR) 2019-09-26 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-11466027-B2 Modulators of the NMDA receptor GRIN1, GRIN2A, GRIN3A AXL 3367/4885MKNK1 676/4885MKNK2 575/4885
US-11358971-B2 Prodrugs of modulators of the NMDA receptor GRIN3A, GRIN1, GRIN2A AXL 1865/4885MKNK1 809/4885MKNK2 784/4885
US-20210002292-A1 MODULATORS OF THE NMDA RECEPTOR GRIN1, GRIN2A, GRIN3A AXL 3367/4885MKNK1 676/4885MKNK2 575/4885
US-20210047342-A1 PRODRUGS OF MODULATORS OF THE NMDA RECEPTOR GRIN3A, GRIN1, GRIN2A AXL 1865/4885MKNK1 809/4885MKNK2 784/4885
US-20220213117-A1 PRODRUGS OF MODULATORS OF THE NMDA RECEPTOR GRIN3A, GRIN1, GRIN2A AXL 1865/4885MKNK1 809/4885MKNK2 784/4885

“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.