SCHEMBL5651427

SCHEMBL5651427

Cc1ccnc(CN)c1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 6/20 0.43
NOS3 P29474 5/20 0.43
LOXL2 Q9Y4K0 7/20 0.39
CCR1 P32246 1/20 0.35
CCR5 P51681 1/20 0.35
CCR8 P51685 1/20 0.35
NOS1 P29475 2/20 0.34
LOX P28300 3/20 0.32
LOXL3 P58215 1/20 0.31
AKT1 P31749 2/20 0.31
ROCK1 Q13464 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
CYP1A2 P05177 2/20 0.30
CYP2E1 P05181 2/20 0.30
CYP3A4 P08684 2/20 0.30
CYP2C8 P10632 2/20 0.30
CYP2D6 P10635 2/20 0.30
CYP2A6 P11509 2/20 0.30

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
Hydrochloric Acid SCHEMBL16880907 0.98 NOS2 (0.42) NOS2NOS3LOXL2CCR1CCR5
Hydrochloric Acid SCHEMBL6950823 0.98 NOS2 (0.42) NOS2NOS3LOXL2CCR1CCR5
SCHEMBL11967119 0.81 NOS2 (0.48) NOS2NOS3CCR1CCR5CCR8
SCHEMBL12468516 0.79 ALDH1A1 (0.41) NOS2NOS3CCR1CCR5CCR8
SCHEMBL15154665 0.79 NOS2 (0.39) NOS2NOS3CCR1CCR5CCR8
SCHEMBL11306368 0.78 NOS2 (0.52) NOS2NOS3LOXL2CCR1CCR5
SCHEMBL19006356 0.78 NOS2 (0.52) NOS2NOS3CCR1CCR5CCR8
SCHEMBL23241579 0.77 LOXL2 (0.41) LOXL2LOXLOXL3ROCK1
Hydrochloric Acid SCHEMBL16414607 0.77 NOS2 (0.50) NOS2NOS3LOXL2CCR1CCR5
SCHEMBL21455477 0.76 LOXL2 (0.37) NOS2NOS3LOXL2NOS1CYP1A2

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
US-20230203012-A1 SOLID FORMS OF A PLASMA KALLIKREIN INHIBITOR AND SALTS THEREOF CROWE DAVID MALCOLM (GB) 2023-06-29 US disclosed
EP-3939658-A1 SUBSTITUTED BENZOFURAN, BENZOPYRROLE, BENZOTHIOPHENE, AND STRUCTURALLY RELATED COMPLEMENT INHIBITORS Biocryst Pharmaceuticals, Inc. (US) 2022-01-19 EP disclosed
EP-3687506-B1 SUBSTITUTED BENZOFURAN, BENZOPYRROLE, BENZOTHIOPHENE, AND STRUCTURALLY RELATED COMPLEMENT INHIBITORS BIOCRYST PHARM INC (US) 2021-07-07 EP disclosed
WO-2021072156-A1 ORAL COMPLEMENT FACTOR D INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2021-04-15 WO disclosed
WO-2015103317-A1 THERAPEUTIC INHIBITORY COMPOUNDS LIFESCI PHARMACEUTICALS, INC. (BB) 2015-07-09 WO disclosed
US-20070161643-A1 Pyridin-2-one compounds useful as inhibitors of thrombin ASTRAZENECA AB (SE) 2007-07-12 US disclosed
US-20070099962-A1 5,6-Dihydropyrin-2-one compounds useful as inhibitors of thrombin ASTRAZENECA AB (SE) 2007-05-03 US disclosed
CN-1918124-A New pyridin-2-one compounds useful as inhibitors of thrombin ASTRAZENECA AB (SE) 2007-02-21 CN disclosed
CN-1894214-A New 5,6-dihydropyrin-2-one compounds useful as inhibitors of thrombin ASTRAZENECA AB (SE) 2007-01-10 CN disclosed
EP-1713774-A1 NEW PYRIDIN-2-ONE COMPOUNDS USEFUL AS INHIBITORS OF THROMBIN AstraZeneca AB (SE) 2006-10-25 EP disclosed
EP-1697323-A1 NEW 5,6-DIHYDROPYRIN-2-ONE COMPOUNDS USEFUL AS INHIBITORS OF THROMBIN AstraZeneca AB (SE) 2006-09-06 EP disclosed
WO-2005075424-A1 NEW PYRIDIN-2-ONE COMPOUNDS USEFUL AS INHIBITORS OF THROMBIN ASTRAZENECA AB (SE) 2005-08-18 WO disclosed
WO-2005058826-A1 NEW 5,6-DIHYDROPYRIN-2-ONE COMPOUNDS USEFUL AS INHIBITORS OF THROMBIN ASTRAZENECA AB (SE) 2005-06-30 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 (3 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-20070099962-A1 5,6-Dihydropyrin-2-one compounds useful as inhibitors of thrombin F2, SERPINC1, SERPINE1 NOS2 2809/4885NOS3 2430/4885LOXL2 1586/4885
US-20070161643-A1 Pyridin-2-one compounds useful as inhibitors of thrombin PLG, F2, PLAT NOS2 1373/4885NOS3 1498/4885LOXL2 391/4885
US-20230203012-A1 SOLID FORMS OF A PLASMA KALLIKREIN INHIBITOR AND SALTS THEREOF KLKB1, KLK1, KLK2 NOS2 1654/4885NOS3 1011/4885LOXL2 1484/4885

“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.