SCHEMBL423202

SCHEMBL423202

Cc1ccnc2ccsc12

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
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ADORA2A P29274 8/20 0.37
ADORA2B P29275 4/20 0.37
CCR1 P32246 1/20 0.37
CCR5 P51681 1/20 0.37
CCR8 P51685 1/20 0.37
ADORA1 P30542 7/20 0.37
ADORA3 P0DMS8 3/20 0.37
KDR P35968 3/20 0.36
NOS3 P29474 2/20 0.35
NOS2 P35228 2/20 0.35
CYP17A1 P05093 1/20 0.35
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35

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
SCHEMBL31324910 1.00 AXL (0.44) AXLMKNK1MKNK2PDPK1PARP1
SCHEMBL14837989 0.77 CYP17A1 (0.58) CYP17A1
SCHEMBL10297716 0.75 KDR (0.46) AXLMKNK1MKNK2PDPK1PARP1
SCHEMBL29468124 0.74 AXL (0.44) AXLMKNK1MKNK2PDPK1PARP1
SCHEMBL29368189 0.74 AXL (0.44) AXLMKNK1MKNK2PDPK1PARP1
SCHEMBL29631094 0.74 AXL (0.44) AXLMKNK1MKNK2PDPK1PARP1
SCHEMBL105581 0.74 AXL (0.44) AXLMKNK1MKNK2PDPK1PARP1
SCHEMBL4037241 0.74 AXL (0.44) AXLMKNK1MKNK2PDPK1PARP1
SCHEMBL21393430 0.74 AXL (0.44) AXLMKNK1MKNK2PDPK1PARP1
SCHEMBL29365402 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 108 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
WO-2022174253-A1 HPK1 ANTAGONISTS AND USES THEREOF Nimbus Saturn, Inc. (US) 2022-08-18 WO disclosed
WO-2022058920-A1 CASEIN KINASE 1 DELTA MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2022-03-24 WO disclosed
US-11273168-B2 Methods of treating anxiety by administering a substituted quinolone OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2022-03-15 US disclosed
US-11034694-B2 Substituted isoindolin-1-ones and 2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-1-ones as HPK1 antagonists Nimbus Saturn, Inc. (US) 2021-06-15 US disclosed
US-11028085-B2 Substituted isoindolin-1-ones and 2,3-dihydro-1h-pyrrolo[3,4-c]pyridin-1-ones as hpk1 antagonists Nimbus Saturn, Inc. (US) 2021-06-08 US disclosed
US-11021481-B2 Substituted isoindolin-1-ones and 2,3-dihydro-1h-pyrrolo[3,4-c]pyridin-1-ones as HPK1 antagonists Nimbus Saturn, Inc. (US) 2021-06-01 US disclosed
US-20210087189-A1 SUBSTITUTED ISINDOLIN-1-ONES AND 2,3-DIHYDRO-1H-PYRROLO[3,3-c]PYRIDIN-1-ONES AS HPK1 ANTAGONISTS CHARLES RIVER DISCOVERY RESEARCH SERVICES UK LIMITED (GB) 2021-03-25 US disclosed
WO-2021050964-A1 HPK1 ANTAGONISTS AND USES THEREOF Nimbus Saturn, Inc. (US) 2021-03-18 WO disclosed
WO-2021028362-A1 SHP2 INHIBITORS IRBM S.P.A. (IT) 2021-02-18 WO disclosed
US-20090156603-A1 2-AMINOPYRIDINE ANALOGS AS GLUCOKINASE ACTIVATORS ARRAY BIOPHARMA INC. (US) 2009-06-18 US disclosed
US-20090088406-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-04-02 US disclosed
US-20090088406-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-04-02 US disclosed
US-20070203209-A1 Useful indole compounds IRONWOOD PHARMACEUTICALS, INC. 2007-08-30 US disclosed
US-20070203209-A1 Useful indole compounds IRONWOOD PHARMACEUTICALS, INC. 2007-08-30 US disclosed
WO-2007022501-A2 USEFUL INDOLE COMPOUNDS MICROBIA, INC. (US) 2007-02-22 WO disclosed
WO-2006000085-A1 HEPATITIS C INHIBITOR PEPTIDE ANALOGS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-01-05 WO disclosed
US-5663164-A CEPHALOSPORIN ANTIBIOTICS AS BACTERICIDES ROUSSEL UCLAF (FR) 1997-09-02 US disclosed
EP-0271273-A2 Thieno-and furopyridine sulfonamides MERCK & CO. INC. (US) 1988-06-15 EP disclosed
US-4731368-A Thienopyridine sulfonamides and their ophthalmological formulation MERCK & CO., INC. (US) 1988-03-15 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 (9 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-20090088406-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS SLC6A2, TPH1, SLC6A3 AXL 3241/4885MKNK1 3844/4885MKNK2 4107/4885
US-11273168-B2 Methods of treating anxiety by administering a substituted quinolone CRH, MC2R, HTR3C AXL 3881/4885MKNK1 2854/4885MKNK2 2335/4885
US-11028085-B2 Substituted isoindolin-1-ones and 2,3-dihydro-1h-pyrrolo[3,4-c]pyridin-1-ones as hpk1 antagonists HIPK1, PDXK, IP6K1 AXL 4468/4885MKNK1 28/4885MKNK2 44/4885
US-20090156603-A1 2-AMINOPYRIDINE ANALOGS AS GLUCOKINASE ACTIVATORS GCK, GCKR, PRKCSH AXL 4539/4885MKNK1 259/4885MKNK2 209/4885
US-20070203209-A1 Useful indole compounds TPH2, HRH2, HRH1 AXL 4871/4885MKNK1 3276/4885MKNK2 2755/4885
US-11021481-B2 Substituted isoindolin-1-ones and 2,3-dihydro-1h-pyrrolo[3,4-c]pyridin-1-ones as HPK1 antagonists HIPK1, PDXK, IP6K1 AXL 4468/4885MKNK1 28/4885MKNK2 44/4885
US-20210087189-A1 SUBSTITUTED ISINDOLIN-1-ONES AND 2,3-DIHYDRO-1H-PYRROLO[3,3-c]PYRIDIN-1-ONES AS HPK1 ANTAGONISTS HIPK1, PDXK, SIK1 AXL 4469/4885MKNK1 22/4885MKNK2 44/4885
US-11034694-B2 Substituted isoindolin-1-ones and 2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-1-ones as HPK1 antagonists HIPK1, IP6K1, PDXK AXL 4682/4885MKNK1 62/4885MKNK2 74/4885

“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.