SCHEMBL953753

SCHEMBL953753

N#Cc1ccnc2ccsc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.42
AXL P30530 1/20 0.41
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
PDPK1 O15530 1/20 0.39
PARP1 P09874 1/20 0.39
SRC P12931 1/20 0.39
MALT1 Q9UDY8 1/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ADORA2A P29274 2/20 0.34
ADORA1 P30542 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
LMNA P02545 1/20 0.34
GLA P06280 1/20 0.34
ALOX15 P16050 1/20 0.34
PDE7A Q13946 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HTR2C P28335 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
SCHEMBL29367767 1.00 KDR (0.42) KDRAXLMKNK1MKNK2PDPK1
SCHEMBL14369942 0.74 SRC (0.46) AXLMKNK1MKNK2PDPK1PARP1
SCHEMBL23978024 0.72 LRRK2 (0.41) KDRMALT1ALDH1A1KDM4EMEN1
SCHEMBL29365402 0.71 AXL (0.53) KDRAXLMKNK1MKNK2PDPK1
SCHEMBL31324910 0.71 AXL (0.44) KDRAXLMKNK1MKNK2PDPK1
SCHEMBL29368189 0.71 AXL (0.44) KDRAXLMKNK1MKNK2PDPK1
SCHEMBL4037241 0.71 AXL (0.44) KDRAXLMKNK1MKNK2PDPK1
SCHEMBL29468124 0.71 AXL (0.44) KDRAXLMKNK1MKNK2PDPK1
SCHEMBL21393430 0.71 AXL (0.44) KDRAXLMKNK1MKNK2PDPK1
SCHEMBL29631094 0.71 AXL (0.44) KDRAXLMKNK1MKNK2PDPK1

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 23 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-3994140-A1 PRODRUGS OF MODULATORS OF THE NMDA RECEPTOR H. Lundbeck A/S (DK) 2022-05-11 EP disclosed
EP-3994141-A1 MODULATORS OF THE NMDA RECEPTOR H. Lundbeck A/S (DK) 2022-05-11 EP 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
US-20210002292-A1 MODULATORS OF THE NMDA RECEPTOR H. LUNDBECK A/S (DK) 2021-01-07 US disclosed
WO-2021001420-A1 PRODRUGS OF MODULATORS OF THE NMDA RECEPTOR H. LUNDBECK A/S (DK) 2021-01-07 WO disclosed
WO-2021001423-A1 MODULATORS OF THE NMDA RECEPTOR H. LUNDBECK A/S (DK) 2021-01-07 WO disclosed
US-9139589-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-09-22 US disclosed
US-9090601-B2 Thiazole derivatives MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-07-28 US disclosed
CN-102395585-A Heteroaryls and their use as pi3k inhibitors MILLENNIUM PHARM INC 2012-03-28 CN disclosed
EP-2391619-A1 HETEROARYLS AND THEIR USE AS PI3K INHIBITORS Millennium Pharmaceuticals, Inc. (US) 2011-12-07 EP disclosed
US-20110003807-A1 Thiazole derivatives MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-06 US disclosed
US-20110003806-A1 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-06 US disclosed
WO-2010090716-A1 HETEROARYLS AND THEIR USE AS PI3K INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-08-12 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 (7 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 KDR 3017/4885AXL 3367/4885MKNK1 676/4885
US-11358971-B2 Prodrugs of modulators of the NMDA receptor GRIN3A, GRIN1, GRIN2A KDR 1861/4885AXL 1865/4885MKNK1 809/4885
US-20210002292-A1 MODULATORS OF THE NMDA RECEPTOR GRIN1, GRIN2A, GRIN3A KDR 3017/4885AXL 3367/4885MKNK1 676/4885
US-20210047342-A1 PRODRUGS OF MODULATORS OF THE NMDA RECEPTOR GRIN3A, GRIN1, GRIN2A KDR 1861/4885AXL 1865/4885MKNK1 809/4885
US-20110003807-A1 Thiazole derivatives MTOR, RICTOR, AKT2 KDR 1800/4885AXL 406/4885MKNK1 233/4885
US-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 KDR 195/4885AXL 1745/4885MKNK1 544/4885
US-20220213117-A1 PRODRUGS OF MODULATORS OF THE NMDA RECEPTOR GRIN3A, GRIN1, GRIN2A KDR 1861/4885AXL 1865/4885MKNK1 809/4885

“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.